Geometry & MOs

Info

ID:	237374
PubChem CID:	92718934
Reduced:	NO5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	445.101765
ΔH_f, kcal/mol:	-172.53
Dipole, Da:	3.92
IP(EA), eV:	-9.58(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations