Geometry & MOs

Info

ID:	43519
PubChem CID:	10321415
Reduced:	ClN3O4H18C24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	447.160121
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	6.63
IP(EA), eV:	-9.2(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[3-[[4-(3-chlorophenyl)phenyl]methyl-(2-methylpropanoyl)amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=NC=C(C=C3)C(=O)O)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations