Geometry & MOs

Info

ID:	242964
PubChem CID:	99214577
Reduced:	O3N4C29H34 (1)
Stoich.:	A3B4C29D34 (1)
Weight, g/mol:	480.219512
ΔH_f, kcal/mol:	-24.97
Dipole, Da:	4.17
IP(EA), eV:	-8.07(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)N3CCN(CC3)CC4CC4)OCC5=CN=CC=C5

DOS

IR

Vibrations