Geometry & MOs

Info

ID:	368080
PubChem CID:	127327193
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	375.108914
ΔH_f, kcal/mol:	-81.27
Dipole, Da:	5.33
IP(EA), eV:	-8.49(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylethanone

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3(CCCC3)C4=NC=CS4)C

DOS

IR

Vibrations