Geometry & MOs

Info

ID:	237097
PubChem CID:	92717264
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	453.134301
ΔH_f, kcal/mol:	-65.0
Dipole, Da:	6.58
IP(EA), eV:	-9.32(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2N=C(C(=N2)C(=O)NC[C@@H](C)O)CO

DOS

IR

Vibrations