Geometry & MOs

Info

ID:	58307
PubChem CID:	24697655
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	274.088832
ΔH_f, kcal/mol:	-32.58
Dipole, Da:	2.61
IP(EA), eV:	-8.67(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamothioylphenyl)-2-(2-methylimidazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CSCN2)C

DOS

IR

Vibrations