Geometry & MOs

Info

ID:	344269
PubChem CID:	127267445
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-50.22
Dipole, Da:	2.79
IP(EA), eV:	-8.43(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(hydroxymethyl)cyclopent-3-en-1-yl]-phenylmethyl]-3-methylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NC(=C2)C(=O)NC(C3=CSC(=N3)C)C(C)O)C

DOS

IR

Vibrations