Geometry & MOs

Info

ID:	34619
PubChem CID:	7978742
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	394.104397
ΔH_f, kcal/mol:	-105.73
Dipole, Da:	3.15
IP(EA), eV:	-8.94(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-nitroanilino)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC5=C(C=C4)SCC(=O)N5

DOS

IR

Vibrations