Geometry & MOs

Info

ID:	243366
PubChem CID:	99222719
Reduced:	BrN2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	497.178456
ΔH_f, kcal/mol:	-66.95
Dipole, Da:	4.39
IP(EA), eV:	-9.32(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-(4-propylphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@H](C)N(CC(=O)N)C(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations