Geometry & MOs

Info

ID:	23357
PubChem CID:	603191
Reduced:	BrNSO3C16H16 (1)
Stoich.:	ABCD3E16F16 (1)
Weight, g/mol:	381.00343
ΔH_f, kcal/mol:	-98.82
Dipole, Da:	1.03
IP(EA), eV:	-8.84(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-bromobenzoyl)amino]-5-ethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=C(S1)NC(=O)C2=CC(=CC=C2)Br)C(=O)OCC

DOS

IR

Vibrations