Geometry & MOs

Info

ID:	137736
PubChem CID:	52255266
Reduced:	ClO3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	393.169343
ΔH_f, kcal/mol:	-83.55
Dipole, Da:	2.56
IP(EA), eV:	-9.38(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(2-chlorophenyl)ethyl]-cyclopropyl-[2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)NC(=O)CN(C2CC2)[C@@H](C)C3=CC=CC=C3Cl)C

DOS

IR

Vibrations