Geometry & MOs

Info

ID:	33045
PubChem CID:	7850458
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	373.108086
ΔH_f, kcal/mol:	-109.89
Dipole, Da:	6.04
IP(EA), eV:	-9.3(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)NC(=O)COC(=O)/C=C/C1=CSC(=N1)N(C2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations