Geometry & MOs

Info

ID:	433278
PubChem CID:	135173415
Reduced:	ISN4O4C26H35 (1)
Stoich.:	ABC4D4E26F35 (1)
Weight, g/mol:	511.204196
ΔH_f, kcal/mol:	-151.74
Dipole, Da:	5.03
IP(EA), eV:	-9.12(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-3-[3-[(N'-phenylcarbamimidoyl)amino]anilino]sulfanylphenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C(C)(C)I)O

DOS

IR

Vibrations