Geometry & MOs

Info

ID:	49536
PubChem CID:	11533198
Reduced:	SO2N4C28H30 (1)
Stoich.:	AB2C4D28E30 (1)
Weight, g/mol:	486.245333
ΔH_f, kcal/mol:	-2.66
Dipole, Da:	5.34
IP(EA), eV:	-8.32(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-adamantyl)-5-phenylpyrrol-1-yl]-N-[N'-(2-thiophen-2-ylethyl)carbamimidoyl]acetamide

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)S(=O)(=O)NCCC2=C(NC3=CC=CC=C32)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations