Geometry & MOs

Info

ID:	306490
PubChem CID:	125083567
Reduced:	ClSN3O4C36H40 (1)
Stoich.:	ABC3D4E36F40 (1)
Weight, g/mol:	448.182064
ΔH_f, kcal/mol:	-105.65
Dipole, Da:	4.89
IP(EA), eV:	-8.82(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(CC(=O)N(CC2=CC=C(C=C2)Cl)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)S(=O)(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations