Geometry & MOs

Info

ID:	292369
PubChem CID:	114917602
Reduced:	OSCl2N3H9C14 (1)
Stoich.:	ABC2D3E9F14 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	34.75
Dipole, Da:	2.01
IP(EA), eV:	-8.89(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-2-methylpentanoyl)amino]-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC=C3Cl)Cl

DOS

IR

Vibrations