Geometry & MOs

Info

ID:	140666
PubChem CID:	52738699
Reduced:	ClN2O4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	451.133255
ΔH_f, kcal/mol:	-126.72
Dipole, Da:	7.54
IP(EA), eV:	-9.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations