Geometry & MOs

Info

ID:	68935
PubChem CID:	46512784
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	421.06372
ΔH_f, kcal/mol:	-99.01
Dipole, Da:	4.58
IP(EA), eV:	-8.36(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[[4-(carbamoylamino)phenyl]methyl]-4-ethoxy-5-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C(C)NC2=CC=C(C=C2)NS(=O)(=O)C

DOS

IR

Vibrations