Geometry & MOs

Info

ID:	208019
PubChem CID:	80481484
Reduced:	NSO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	277.052112
ΔH_f, kcal/mol:	-13.58
Dipole, Da:	4.44
IP(EA), eV:	-9.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)NCC2=C(C=CS2)C#CCO)C

DOS

IR

Vibrations