Geometry & MOs

Info

ID:	166342
PubChem CID:	74673482
Reduced:	SN4O5C22H29 (1)
Stoich.:	AB4C5D22E29 (1)
Weight, g/mol:	454.088181
ΔH_f, kcal/mol:	-150.6
Dipole, Da:	7.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756945
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CC[NH+](CC(=O)NC1=CC=C(C=C1)OC)CC(=O)N2C(CC3=C2C=CC(=C3)S(=O)(=O)N)C

DOS

IR

Vibrations