Geometry & MOs

Info

ID:

436225

PubChem CID:

135195440

Reduced:

SF2O2N5C23H31 (1)

Stoich.:

AB2C2D5E23F31 (1)

Weight, g/mol:

463.180874

ΔHf, kcal/mol:

-92.57

Dipole, Da:

5.39

IP(EA), eV:

 -7.47(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-6,6-dimethyl-3-[[1-(trimethyl-lambda4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)NC(=O)N2CC3=C(C2(C)C)NN=C3NC(=O)C4(CCC4)S(C)(C)C)F

DOS

IR

Vibrations