Geometry & MOs

Info

ID:	34242
PubChem CID:	7890437
Reduced:	N4O5C21H26 (1)
Stoich.:	A4B5C21D26 (1)
Weight, g/mol:	378.102272
ΔH_f, kcal/mol:	-123.71
Dipole, Da:	4.8
IP(EA), eV:	-8.71(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC(=O)NC1=CC=CC(=C1C)C)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations