Geometry & MOs

Info

ID:	188939
PubChem CID:	77787265
Reduced:	SN4O5H26C28 (1)
Stoich.:	AB4C5D26E28 (1)
Weight, g/mol:	555.219178
ΔH_f, kcal/mol:	-104.75
Dipole, Da:	5.55
IP(EA), eV:	-9.33(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]-2-[4-[(dimethylamino)methyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)N=CC=C4

DOS

IR

Vibrations