Geometry & MOs

Info

ID:	305976
PubChem CID:	124976964
Reduced:	OSN5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	356.165997
ΔH_f, kcal/mol:	22.76
Dipole, Da:	1.21
IP(EA), eV:	-8.87(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2=NC=CS2)[C@@H]3CCN(C3)CCOC

DOS

IR

Vibrations