Geometry & MOs

Info

ID:	421678
PubChem CID:	135116414
Reduced:	ON6C22H24 (1)
Stoich.:	AB6C22D24 (1)
Weight, g/mol:	370.131091
ΔH_f, kcal/mol:	53.89
Dipole, Da:	3.74
IP(EA), eV:	-8.59(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC5=NC=CN=C5C=C4

DOS

IR

Vibrations