Geometry & MOs

Info

ID:	134646
PubChem CID:	51733631
Reduced:	ClN2O2C32H37 (1)
Stoich.:	AB2C2D32E37 (1)
Weight, g/mol:	514.142613
ΔH_f, kcal/mol:	-55.01
Dipole, Da:	4.08
IP(EA), eV:	-9.01(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(tert-butylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-4-chloro-N-(3-chlorophenyl)benzamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=O)N(C2=CC(=CC=C2)Cl)[C@H]([C@@H](C)C3=CC=CC=C3)C(=O)NC4CCCCC4

DOS

IR

Vibrations