Geometry & MOs

Info

ID:	127967
PubChem CID:	51025117
Reduced:	NOC19H27 (1)
Stoich.:	ABC19D27 (1)
Weight, g/mol:	388.064841
ΔH_f, kcal/mol:	-55.73
Dipole, Da:	3.03
IP(EA), eV:	-8.54(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,9R)-10-(4-chlorophenyl)-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations