Geometry & MOs

Info

ID:	244351
PubChem CID:	99344229
Reduced:	SN2O5C20H24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-184.68
Dipole, Da:	6.37
IP(EA), eV:	-8.96(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(1-tert-butyl-3,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoate

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC(=C(C(=C2)C)C)C(=O)OC

DOS

IR

Vibrations