Geometry & MOs

Info

ID:	135706
PubChem CID:	51920597
Reduced:	ClN2F3O5C22H22 (1)
Stoich.:	AB2C3D5E22F22 (1)
Weight, g/mol:	432.1452
ΔH_f, kcal/mol:	-344.52
Dipole, Da:	5.97
IP(EA), eV:	-9.35(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-methylanilino)-2-oxoethyl] (2R)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)OCC(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)NC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations