Geometry & MOs

Info

ID:

420046

PubChem CID:

135110866

Reduced:

O6N8C31H40 (1)

Stoich.:

A6B8C31D40 (1)

Weight, g/mol:

392.151826

ΔHf, kcal/mol:

-166.89

Dipole, Da:

10.11

IP(EA), eV:

 -9.35(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-1-[(3S,4R)-4-[[(2E)-6-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-yl]amino]oxolan-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC2=CN(CCCOC3=C(C(=O)N1)N=CC=C3)N=N2)CC4=CC=CC=C4)[C@@H](C)O

DOS

IR

Vibrations