Geometry & MOs

Info

ID:	237277
PubChem CID:	92718079
Reduced:	ClN2O4H23C25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	450.134635
ΔH_f, kcal/mol:	-112.14
Dipole, Da:	5.97
IP(EA), eV:	-9.48(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NCC(=O)OCC(=O)N[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations