Geometry & MOs

Info

ID:	62100
PubChem CID:	26717582
Reduced:	Cl2N2O5H14C17 (1)
Stoich.:	A2B2C5D14E17 (1)
Weight, g/mol:	409.084764
ΔH_f, kcal/mol:	-102.8
Dipole, Da:	6.09
IP(EA), eV:	-9.75(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations