Geometry & MOs

Info

ID:	309711
PubChem CID:	126555774
Reduced:	N6O9C30H44 (1)
Stoich.:	A6B9C30D44 (1)
Weight, g/mol:	622.195442
ΔH_f, kcal/mol:	-382.97
Dipole, Da:	6.92
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl (2S)-2-[[[5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H](C(=O)N[C@@H](CCCNC=O)C(=O)NC1=CC=C(C=C1)COC(=O)N[C@@H](CCC(=O)C=N)C(=O)OC(C)C)NC(=O)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H](C(=O)N[C@@H](CCCNC=O)C(=O)NC1=CC=C(C=C1)COC(=O)N[C@@H](CCC(=O)C=N)C(=O)OC(C)C)NC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):