Geometry & MOs

Info

ID:	194648
PubChem CID:	78567834
Reduced:	ClOS2N3H14C18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	401.147452
ΔH_f, kcal/mol:	77.29
Dipole, Da:	3.86
IP(EA), eV:	-8.88(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(2,3-dimethoxyphenyl)prop-2-enoylamino]-4,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C=CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations