Geometry & MOs

Info

ID:	140582
PubChem CID:	52723168
Reduced:	ClO3N6H9C14 (1)
Stoich.:	AB3C6D9E14 (1)
Weight, g/mol:	463.18173
ΔH_f, kcal/mol:	71.3
Dipole, Da:	5.77
IP(EA), eV:	-9.44(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[(S)-(4-ethoxyphenyl)-phenylmethyl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)N2C=NC=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations