Geometry & MOs

Info

ID:	219075
PubChem CID:	85090451
Reduced:	O5N7C27H45 (1)
Stoich.:	A5B7C27D45 (1)
Weight, g/mol:	547.159949
ΔH_f, kcal/mol:	-236.2
Dipole, Da:	4.19
IP(EA), eV:	-9.37(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(1-benzothiophen-3-ylmethyl)-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C=NNC(=O)N)N

DOS

IR

Vibrations