Geometry & MOs

Info

ID:	279175
PubChem CID:	103841842
Reduced:	BrClN2O2H8C11 (1)
Stoich.:	ABC2D2E8F11 (1)
Weight, g/mol:	361.00803
ΔH_f, kcal/mol:	1.9
Dipole, Da:	4.97
IP(EA), eV:	-9.56(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-bromo-4-chlorobenzoyl)amino]-2-methylpentanoate

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations