Geometry & MOs

Info

ID:	146888
PubChem CID:	53766228
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	435.209282
ΔH_f, kcal/mol:	-21.74
Dipole, Da:	4.15
IP(EA), eV:	-8.69(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[3-[(2-amino-3-sulfanylpropyl)amino]-6-phenylpyridin-2-yl]amino]-N-benzylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CS)N2C(=CN(C2=O)CC3=CC=CC=C3)O

DOS

IR

Vibrations