Geometry & MOs

Info

ID:	157926
PubChem CID:	56459047
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	-34.74
Dipole, Da:	2.37
IP(EA), eV:	-8.78(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C

DOS

IR

Vibrations