Geometry & MOs

Info

ID:	165384
PubChem CID:	74544089
Reduced:	ClN2O4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	474.155764
ΔH_f, kcal/mol:	-150.91
Dipole, Da:	6.21
IP(EA), eV:	-9.09(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCNC(=O)COC(=O)C(C)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations