Geometry & MOs

Info

ID:	175649
PubChem CID:	75930737
Reduced:	FON3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	446.152495
ΔH_f, kcal/mol:	-28.54
Dipole, Da:	5.21
IP(EA), eV:	-8.11(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indole-3-carbonyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=CC(=O)N(C)C1CCN(CC1)C2=CC=CC=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations