Geometry & MOs

Info

ID:	157853
PubChem CID:	56437612
Reduced:	ClSN4O4C20H21 (1)
Stoich.:	ABC4D4E20F21 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-68.82
Dipole, Da:	3.51
IP(EA), eV:	-8.96(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[methyl-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]butanoate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations