Geometry & MOs

Info

ID:	431736
PubChem CID:	135171840
Reduced:	ClSO2N4C23H33 (1)
Stoich.:	ABC2D4E23F33 (1)
Weight, g/mol:	345.289246
ΔH_f, kcal/mol:	-64.89
Dipole, Da:	8.66
IP(EA), eV:	-9.07(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-amino-3-[3-amino-4-[cyclohexyl(2-methylpropyl)amino]phenyl]butanimidamide

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)(C)CC(=O)O)NC3=NC(=NS3)Cl

DOS

IR

Vibrations