Geometry & MOs

Info

ID:	185262
PubChem CID:	77278112
Reduced:	SO5C16H18 (1)
Stoich.:	AB5C16D18 (1)
Weight, g/mol:	426.152575
ΔH_f, kcal/mol:	-166.17
Dipole, Da:	1.87
IP(EA), eV:	-8.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-3-[[2-(3-methylphenyl)acetyl]amino]-2,3,3a,6a-tetrahydro-1H-thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=CC(=CC=C2)OC3C(C(C(CS3)O)O)O

DOS

IR

Vibrations