Geometry & MOs

Info

ID:	177925
PubChem CID:	76252646
Reduced:	SO4N6C22H24 (1)
Stoich.:	AB4C6D22E24 (1)
Weight, g/mol:	440.209993
ΔH_f, kcal/mol:	-52.69
Dipole, Da:	5.18
IP(EA), eV:	-9.56(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-oxo-3-[[4-(phenylmethoxymethyl)phenyl]methylamino]prop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCCC3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations