Geometry & MOs

Info

ID:	51649
PubChem CID:	12014354
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	345.118735
ΔH_f, kcal/mol:	-111.21
Dipole, Da:	8.11
IP(EA), eV:	-9.98(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,13S,14R)-3-(4-methylphenyl)-4-thia-11-azapentacyclo[12.2.1.02,13.03,11.05,10]heptadeca-5,7,9,15-tetraen-12-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)O

DOS

IR

Vibrations