Geometry & MOs

Info

ID:	152905
PubChem CID:	56311994
Reduced:	SN4O4C23H32 (1)
Stoich.:	AB4C4D23E32 (1)
Weight, g/mol:	430.203862
ΔH_f, kcal/mol:	-83.42
Dipole, Da:	4.78
IP(EA), eV:	-9.26(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropylmethyl(1-phenylethyl)amino]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)CN(CC3CC3)C(C)C4=CC=CC=C4

DOS

IR

Vibrations