Geometry & MOs

Info

ID:	421080
PubChem CID:	135115359
Reduced:	SN3O5C17H27 (1)
Stoich.:	AB3C5D17E27 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-223.31
Dipole, Da:	11.07
IP(EA), eV:	-9.4(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CCN1C(=CC(=C(C1=O)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)C)C

DOS

IR

Vibrations