Geometry & MOs

Info

ID:	418822
PubChem CID:	135106916
Reduced:	SN3O8C26H33 (1)
Stoich.:	AB3C8D26E33 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	-199.47
Dipole, Da:	3.11
IP(EA), eV:	-8.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C3C4=CC=C(C=C4)OCCOCCN(CC(=O)N3CCC2=C1)C(=O)CNS(=O)(=O)C)OC

DOS

IR

Vibrations