Geometry & MOs

Info

ID:	245294
PubChem CID:	99443261
Reduced:	FSN2O7C20H21 (1)
Stoich.:	ABC2D7E20F21 (1)
Weight, g/mol:	429.109149
ΔH_f, kcal/mol:	-262.53
Dipole, Da:	6.38
IP(EA), eV:	-8.59(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-4,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)NCC=C)OC

DOS

IR

Vibrations