Geometry & MOs

Info

ID:	342601
PubChem CID:	127265761
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-123.55
Dipole, Da:	8.76
IP(EA), eV:	-8.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-hydroxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C3=O

DOS

IR

Vibrations