Geometry & MOs

Info

ID:	177757
PubChem CID:	76226175
Reduced:	ClSO2N5C21H24 (1)
Stoich.:	ABC2D5E21F24 (1)
Weight, g/mol:	381.134301
ΔH_f, kcal/mol:	-16.22
Dipole, Da:	5.44
IP(EA), eV:	-8.68(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C2C(NC(NC2=O)SCC(=O)NCCC3=CC=C(C=C3)Cl)N(N1)C4=CC=CC=C4

DOS

IR

Vibrations