Geometry & MOs

Info

ID:

420102

PubChem CID:

135111156

Reduced:

SN4O4C17H22 (1)

Stoich.:

AB4C4D17E22 (1)

Weight, g/mol:

387.20591

ΔHf, kcal/mol:

-123.31

Dipole, Da:

3.98

IP(EA), eV:

 -9.5(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6E)-6-[6-methyl-4-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2C[C@H]([C@H](C2)O)CC3=NNC(=C3)C

DOS

IR

Vibrations