Geometry & MOs

Info

ID:	306513
PubChem CID:	125084252
Reduced:	SN3O4C30H37 (1)
Stoich.:	AB3C4D30E37 (1)
Weight, g/mol:	556.10314
ΔH_f, kcal/mol:	-127.66
Dipole, Da:	0.41
IP(EA), eV:	-8.79(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations