Geometry & MOs

Info

ID:	185555
PubChem CID:	77314137
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	342.067428
ΔH_f, kcal/mol:	-91.47
Dipole, Da:	4.03
IP(EA), eV:	-9.56(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino 3-[1-(benzenesulfonyl)indol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1C2CC(C1=O)C(N2C(C)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations