Geometry & MOs

Info

ID:	167028
PubChem CID:	74769110
Reduced:	SN4O5C18H23 (1)
Stoich.:	AB4C5D18E23 (1)
Weight, g/mol:	431.173273
ΔH_f, kcal/mol:	-158.89
Dipole, Da:	4.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754657
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-(4-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=CC(=O)OCC(=O)C2C(=[N+](C(=O)N(C2=O)C)CC(C)C)N

DOS

IR

Vibrations