Geometry & MOs

Info

ID:	183463
PubChem CID:	77024769
Reduced:	NSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-107.83
Dipole, Da:	7.36
IP(EA), eV:	-9.51(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-3-(pentan-2-ylamino)-3-phenylpropanimidamide

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C(=O)C2=CC=C(S2)C=CC(=O)O

DOS

IR

Vibrations