Geometry & MOs

Info

ID:

214495

PubChem CID:

85083123

Reduced:

SN3O3C31H47 (1)

Stoich.:

AB3C3D31E47 (1)

Weight, g/mol:

550.197394

ΔHf, kcal/mol:

-154.28

Dipole, Da:

7.95

IP(EA), eV:

 -9.03(0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-4-[10-methyl-5-oxo-7-[3-(trifluoromethyl)phenyl]-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodecan-4-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)NC(=O)CCC3CCCNC3)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C

DOS

IR

Vibrations