Geometry & MOs

Info

ID:	422076
PubChem CID:	135117136
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	363.22704
ΔH_f, kcal/mol:	-38.77
Dipole, Da:	5.22
IP(EA), eV:	-9.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4aS,8aS)-7-acetyl-4a-(hydroxymethyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C(C)C)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations