Geometry & MOs

Info

ID:	219424
PubChem CID:	85148643
Reduced:	SN2O5C28H30 (1)
Stoich.:	AB2C5D28E30 (1)
Weight, g/mol:	506.198777
ΔH_f, kcal/mol:	-111.47
Dipole, Da:	6.87
IP(EA), eV:	-8.81(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(4-aminophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=C(C=C1)OCC2=CC=CC=C2)N3C(C(C3=O)NC(CO)C4=CC=CC=C4)SC

DOS

IR

Vibrations