Geometry & MOs

Info

ID:	306067
PubChem CID:	125001527
Reduced:	ClSO2N3C27H32 (1)
Stoich.:	ABC2D3E27F32 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-23.2
Dipole, Da:	4.83
IP(EA), eV:	-8.88(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@@]2(CCCN(C2)CC3=NC=CS3)CC(=O)N(C)CC4=CC=CC=C4)Cl

DOS

IR

Vibrations