Geometry & MOs

Info

ID:	63243
PubChem CID:	26750328
Reduced:	SN3O5C25H33 (1)
Stoich.:	AB3C5D25E33 (1)
Weight, g/mol:	430.137616
ΔH_f, kcal/mol:	-199.59
Dipole, Da:	3.78
IP(EA), eV:	-9.11(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O

DOS

IR

Vibrations