Geometry & MOs

Info

ID:	197664
PubChem CID:	78984720
Reduced:	ClOSN2C16H19 (1)
Stoich.:	ABCD2E16F19 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-3.78
Dipole, Da:	2.44
IP(EA), eV:	-9.34(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-(3-hydroxypropyl)-3-phenyl-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(S1)Cl)C(=O)[C@@H](CC2=CC=CC=C2)N

DOS

IR

Vibrations