Geometry & MOs

Info

ID:	134754
PubChem CID:	51752439
Reduced:	ClN3O3C28H32 (1)
Stoich.:	AB3C3D28E32 (1)
Weight, g/mol:	493.21322
ΔH_f, kcal/mol:	-70.33
Dipole, Da:	4.82
IP(EA), eV:	-8.15(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)[C@@H](C(=O)NC2CCCCC2)N(CC3=CC=CO3)C(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations