Geometry & MOs

Info

ID:	315813
PubChem CID:	126628922
Reduced:	ClFO3N4C24H24 (1)
Stoich.:	ABC3D4E24F24 (1)
Weight, g/mol:	533.307599
ΔH_f, kcal/mol:	-128.08
Dipole, Da:	4.38
IP(EA), eV:	-8.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-2-ethyl-4-methyl-N'-[2-(triphenyl-lambda4-sulfanyl)ethyl]pentanediamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C=C2C(=O)C)CC(=O)N3C[C@@H](C[C@H]3C(=O)NC4=NC(=CC=C4)Cl)F

DOS

IR

Vibrations