Geometry & MOs

Info

ID:	307840
PubChem CID:	125309781
Reduced:	SO2N5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	389.098017
ΔH_f, kcal/mol:	11.3
Dipole, Da:	5.84
IP(EA), eV:	-9.12(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2,3-dihydro-1,3-thiazol-2-yl]-1-(5-thiophen-2-yl-4H-pyrazole-3-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=C([C@H]([C@@H]3C(=NC(=O)N3C)N2)C4=CSC=C4)C(=O)N1

DOS

IR

Vibrations