Geometry & MOs

Info

ID:	185276
PubChem CID:	77279718
Reduced:	PN2O10C16H21 (1)
Stoich.:	AB2C10D16E21 (1)
Weight, g/mol:	252.129634
ΔH_f, kcal/mol:	-462.7
Dipole, Da:	8.03
IP(EA), eV:	-10.26(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-benzylsulfanyl-N-propylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CNC(COP(=O)(NC(CCC(=O)O)C(=O)O)O)C(=O)O

DOS

IR

Vibrations