Geometry & MOs

Info

ID:	427759
PubChem CID:	135162189
Reduced:	SO2N6C25H30 (1)
Stoich.:	AB2C6D25E30 (1)
Weight, g/mol:	335.105211
ΔH_f, kcal/mol:	20.64
Dipole, Da:	11.14
IP(EA), eV:	-8.65(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(Z)-amino-(4-amino-2-oxopyridin-3-ylidene)methyl]amino]-2-(methylaminomethyl)benzenesulfinic acid

Drug info:

PubChemData

Smile

CC(C)(C)N1CC2=C(S1=O)C=CC(=C2)NC3=C4C(=CC=NC4=O)N(N3)C5(CCCCC5)CC#N

DOS

IR

Vibrations