Geometry & MOs

Info

ID:	23470
PubChem CID:	603890
Reduced:	BrNSO3C16H16 (1)
Stoich.:	ABCD3E16F16 (1)
Weight, g/mol:	381.00343
ΔH_f, kcal/mol:	-102.82
Dipole, Da:	3.61
IP(EA), eV:	-8.61(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations