Geometry & MOs

Info

ID:	60004
PubChem CID:	26663021
Reduced:	O2S2N3C26H27 (1)
Stoich.:	A2B2C3D26E27 (1)
Weight, g/mol:	498.07903
ΔH_f, kcal/mol:	-15.46
Dipole, Da:	2.22
IP(EA), eV:	-8.88(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromobenzoyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC[C@H](CNC(=O)[C@H](C)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)C4=CC=CC=C4

DOS

IR

Vibrations