Geometry & MOs

Info

ID:	160149
PubChem CID:	57304865
Reduced:	N4O9C19H20 (1)
Stoich.:	A4B9C19D20 (1)
Weight, g/mol:	510.285874
ΔH_f, kcal/mol:	-256.34
Dipole, Da:	8.37
IP(EA), eV:	-9.54(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1R,2S)-3-cyclohexyl-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]amino]-4-methyl-N-(3-phenylpropanoyl)pentanamide

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(=O)C([C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)NC3=C(C(=CC=C3)[N+](=O)[O-])O)O)OC(=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(=O)C([C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)NC3=C(C(=CC=C3)[N+](=O)[O-])O)O)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):