Geometry & MOs

Info

ID:	431750
PubChem CID:	135171854
Reduced:	SO2N5C27H33 (1)
Stoich.:	AB2C5D27E33 (1)
Weight, g/mol:	347.268511
ΔH_f, kcal/mol:	13.23
Dipole, Da:	8.62
IP(EA), eV:	-8.86(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C3=CC=CC=C3C(O)OC)NC4=NC(=NS4)C#N

DOS

IR

Vibrations