Geometry & MOs

Info

ID:	203038
PubChem CID:	79767279
Reduced:	BrSO2N4C11H13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	329.0375
ΔH_f, kcal/mol:	-36.52
Dipole, Da:	8.13
IP(EA), eV:	-8.37(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-N-(4-bromo-3-nitrophenyl)-3-methylpentanamide

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NC2=CC(=C(C=C2)Br)N

DOS

IR

Vibrations