Geometry & MOs

Info

ID:

325985

PubChem CID:

126685902

Reduced:

FNO4C25H28 (1)

Stoich.:

ABC4D25E28 (1)

Weight, g/mol:

456.138675

ΔHf, kcal/mol:

-173.52

Dipole, Da:

9.67

IP(EA), eV:

 -8.55(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methylpropyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CC2=CC3=C(C=C2OC)N(C=C(C3=O)C(=C)O)C(CO)C(C)C)F

DOS

IR

Vibrations