Geometry & MOs

Info

ID:	137629
PubChem CID:	52237201
Reduced:	SO2N3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	376.04226
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	5.99
IP(EA), eV:	-9.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[4-(ethylcarbamoyl)phenyl]-5-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC[C@@H](C1)C(=O)NC[C@@H](C2=CSC=C2)N(C)C

DOS

IR

Vibrations