Geometry & MOs

Info

ID:	47389
PubChem CID:	10532214
Reduced:	O4N11C30H65 (1)
Stoich.:	A4B11C30D65 (1)
Weight, g/mol:	644.181996
ΔH_f, kcal/mol:	-189.59
Dipole, Da:	13.12
IP(EA), eV:	-8.76(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]-N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]acetamide;perchlorate

Drug info:

PubChemData

Smile

C(CN)CNC(=O)CCN(CCCNCCCN(CCC(=O)NCCCN)CCC(=O)NCCCN)CCC(=O)NCCCN

DOS

IR

Vibrations