Geometry & MOs

Info

ID:	421612
PubChem CID:	135116300
Reduced:	SO5N6C30H40 (1)
Stoich.:	AB5C6D30E40 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-175.38
Dipole, Da:	4.36
IP(EA), eV:	-8.54(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(5-hydroxypyridin-2-yl)methanone

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

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)C2=CN=CC=C2)CC3=CC=CC=C3

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

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)C2=CN=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):