Geometry & MOs

Info

ID:	33024
PubChem CID:	7850367
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	357.113171
ΔH_f, kcal/mol:	-167.69
Dipole, Da:	3.77
IP(EA), eV:	-9.4(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CN2C(=O)C3(CCCCC3)N(C2=O)C

DOS

IR

Vibrations