Geometry & MOs

Info

ID:	138748
PubChem CID:	52419509
Reduced:	ClN3O4C17H24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-193.49
Dipole, Da:	4.22
IP(EA), eV:	-8.96(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylpentanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations