Geometry & MOs

Info

ID:	134751
PubChem CID:	51752328
Reduced:	ClN2O4C31H31 (1)
Stoich.:	AB2C4D31E31 (1)
Weight, g/mol:	467.197569
ΔH_f, kcal/mol:	-89.19
Dipole, Da:	5.24
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(tert-butylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-2-chloro-N-(furan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)[C@H](C(=O)NC3CCCCC3)N(CC4=CC=CO4)C(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations