Geometry & MOs

Info

ID:	64425
PubChem CID:	29200436
Reduced:	FO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	435.110021
ΔH_f, kcal/mol:	-111.16
Dipole, Da:	0.94
IP(EA), eV:	-8.8(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(2R)-4-methylsulfonyl-1-(3-nitroanilino)-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations