Geometry & MOs

Info

ID:	177914
PubChem CID:	76250737
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	477.172228
ΔH_f, kcal/mol:	-100.42
Dipole, Da:	4.5
IP(EA), eV:	-7.77(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-phenylethenylsulfonylamino)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(=O)N1)CCC(=O)NCCCN2C3=CC=CC=C3SC4=CC=CC=C42

DOS

IR

Vibrations