Geometry & MOs

Info

ID:	194297
PubChem CID:	78512324
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	397.127385
ΔH_f, kcal/mol:	-71.68
Dipole, Da:	3.73
IP(EA), eV:	-8.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1H-indol-3-yl)-2-[(4-methoxy-3-nitrobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2=NN=C(O2)SC(C)C(=O)NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations