Geometry & MOs

Info

ID:	420406
PubChem CID:	135112959
Reduced:	NSO2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-83.13
Dipole, Da:	5.0
IP(EA), eV:	-9.21(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations