Geometry & MOs

Info

ID:

419899

PubChem CID:

135109632

Reduced:

ClNSO5C18H26 (1)

Stoich.:

ABCD5E18F26 (1)

Weight, g/mol:

695.300222

ΔHf, kcal/mol:

-240.6

Dipole, Da:

4.21

IP(EA), eV:

 -9.78(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,8S,14S)-14-benzyl-5,17-dimethyl-10-(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)-8-propan-2-yl-1,4,7,10,13,16,18-heptazabicyclo[13.3.0]octadeca-15,17-diene-3,6,12-trione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCC3(CC2)[C@H]([C@](CCO3)(C)O)O

DOS

IR

Vibrations