Geometry & MOs

Info

ID:	427977
PubChem CID:	135165618
Reduced:	ClN4C23H27 (1)
Stoich.:	AB4C23D27 (1)
Weight, g/mol:	411.186815
ΔH_f, kcal/mol:	53.42
Dipole, Da:	5.02
IP(EA), eV:	-8.26(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4S,5S)-4-methyl-2-(4-methylphenyl)sulfanyl-5-[(1S)-1-(prop-1-en-2-ylamino)ethyl]oxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)N=C(N2C)C3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC)C

DOS

IR

Vibrations