Geometry & MOs

Info

ID:	224713
PubChem CID:	85347013
Reduced:	OC3H4 (8)
Stoich.:	AB3C4 (8)
Weight, g/mol:	462.17102
ΔH_f, kcal/mol:	-278.8
Dipole, Da:	3.84
IP(EA), eV:	-8.37(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[[4-(3-chlorophenyl)phenyl]methyl-(propan-2-ylcarbamoyl)amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C(=C2C(=C1)CC(C(CC3=CC(=C(C(=C32)OC)OC)OC)CO)CO)OC)OC

DOS

IR

Vibrations