Geometry & MOs

Info

ID:	64918
PubChem CID:	29204198
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	381.09139
ΔH_f, kcal/mol:	-2.52
Dipole, Da:	8.4
IP(EA), eV:	-9.04(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(pyridin-3-ylmethyl)butanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations