Geometry & MOs

Info

ID:	28046
PubChem CID:	825308
Reduced:	BrN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	312.04734
ΔH_f, kcal/mol:	-91.29
Dipole, Da:	2.99
IP(EA), eV:	-9.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NC1=CC=CC=C1C(=O)N)Br

DOS

IR

Vibrations