Geometry & MOs

Info

ID:

67365

PubChem CID:

46506356

Reduced:

SN4O7H26C27 (1)

Stoich.:

AB4C7D26E27 (1)

Weight, g/mol:

414.140199

ΔHf, kcal/mol:

-223.86

Dipole, Da:

6.69

IP(EA), eV:

 -8.35(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-methylphenyl)-(9-methyl-10-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NC4=CC=CC=C4C(=O)OC

DOS

IR

Vibrations