Geometry & MOs

Info

ID:	404803
PubChem CID:	135071107
Reduced:	PN2O5C11H20 (1)
Stoich.:	AB2C5D11E20 (1)
Weight, g/mol:	428.173607
ΔH_f, kcal/mol:	-221.67
Dipole, Da:	1.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.993508
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-[[benzamido(benzoyl)amino]methyl]-3-phenylbut-2-enoate

Drug info:

PubChemData

Smile

CC/C(=C(/O)\OC)/C=C(\[N+]#N)/P(=O)(OCC)OCC

DOS

IR

Vibrations