Geometry & MOs

Info

ID:	420519
PubChem CID:	135113584
Reduced:	SN4O4C14H22 (1)
Stoich.:	AB4C4D14E22 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-144.53
Dipole, Da:	2.44
IP(EA), eV:	-9.94(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)C)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations