Geometry & MOs

Info

ID:	194567
PubChem CID:	78557848
Reduced:	NSO5C14H17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	388.17467
ΔH_f, kcal/mol:	-201.28
Dipole, Da:	3.68
IP(EA), eV:	-9.91(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC(=O)COC(=O)C2=CC=CC=C2

DOS

IR

Vibrations