Geometry & MOs

Info

ID:	218186
PubChem CID:	85089004
Reduced:	ON7C25H27 (1)
Stoich.:	AB7C25D27 (1)
Weight, g/mol:	437.152161
ΔH_f, kcal/mol:	48.95
Dipole, Da:	7.04
IP(EA), eV:	-8.2(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-5-[C-phenyl-N-[(N'-phenylcarbamimidoyl)amino]carbonimidoyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=C(N3C=C(C=C(C3=N2)NCCC4=CC=CC=N4)C)C5CCNC(=O)N5

DOS

IR

Vibrations