Geometry & MOs

Info

ID:

81432

PubChem CID:

49854718

Reduced:

OSN10C23H30 (1)

Stoich.:

ABC10D23E30 (1)

Weight, g/mol:

488.143818

ΔHf, kcal/mol:

88.01

Dipole, Da:

3.42

IP(EA), eV:

 -8.48(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S)-9-[(2S)-2-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=C(C=C1)SC2=NC(=NC(=N2)N3CCN(CC3)C)NC4=NNC(=C4)C5CC5

DOS

IR

Vibrations