Geometry & MOs

Info

ID:	131293
PubChem CID:	51187616
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-70.61
Dipole, Da:	6.7
IP(EA), eV:	-8.99(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)N(C)CC2=C(N(N=C2C)C3=CC=CC=C3)C

DOS

IR

Vibrations