Geometry & MOs

Info

ID:	31587
PubChem CID:	855905
Reduced:	NSO2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	245.087435
ΔH_f, kcal/mol:	-68.04
Dipole, Da:	5.16
IP(EA), eV:	-8.41(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)C2=CC=CC=C2)NC(=O)C3CCCCC3)C

DOS

IR

Vibrations