Geometry & MOs

Info

ID:	61578
PubChem CID:	26710680
Reduced:	OS2N4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	391.077282
ΔH_f, kcal/mol:	90.85
Dipole, Da:	4.75
IP(EA), eV:	-8.94(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)CNC(=O)/C=C/C3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations