Geometry & MOs

Info

ID:	178035
PubChem CID:	76266944
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	374.155432
ΔH_f, kcal/mol:	-53.17
Dipole, Da:	7.19
IP(EA), eV:	-8.76(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-difluorophenyl)methyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1,3-diazinan-5-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)COC1CCN(CC1)CC2=NC(=O)C3C(=N2)C=C(S3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations