Geometry & MOs

Info

ID:	61056
PubChem CID:	26704919
Reduced:	SN2O5C19H20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	456.982146
ΔH_f, kcal/mol:	-151.33
Dipole, Da:	4.1
IP(EA), eV:	-8.8(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C(=O)NCCC(=O)NC2=C(SC=C2)C(=O)OC

DOS

IR

Vibrations