Geometry & MOs

Info

ID:	192493
PubChem CID:	78275486
Reduced:	BrO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	382.109962
ΔH_f, kcal/mol:	-36.82
Dipole, Da:	3.85
IP(EA), eV:	-9.12(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-2-(2-imino-1,3-thiazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations