Geometry & MOs

Info

ID:	64261
PubChem CID:	29198749
Reduced:	FON4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	360.091056
ΔH_f, kcal/mol:	-17.83
Dipole, Da:	2.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754453
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2S)-4-methylsulfonyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CCNC(=O)NCC2=CC=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations