Geometry & MOs

Info

ID:

436222

PubChem CID:

135195330

Reduced:

N2O2H13C14 (2)

Stoich.:

A2B2C13D14 (2)

Weight, g/mol:

457.251147

ΔHf, kcal/mol:

-53.88

Dipole, Da:

5.79

IP(EA), eV:

 -8.08(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-6,6-dimethyl-3-[[1-(trimethyl-lambda4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3/C(=N/NC4=C(C=CC(=C4)C(=O)NC)C)/C2=O

DOS

IR

Vibrations