Geometry & MOs

Info

ID:	359514
PubChem CID:	127298788
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-63.07
Dipole, Da:	4.66
IP(EA), eV:	-8.9(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)CC(=O)NC2(CCC2)C3=CC=CC=C3)C(=O)N4CCSCC4

DOS

IR

Vibrations