Geometry & MOs

Info

ID:	417511
PubChem CID:	135096760
Reduced:	SO3N5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-38.39
Dipole, Da:	4.28
IP(EA), eV:	-9.43(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)NC(=O)[C@]2(C[C@H]3CC[C@@H]2N3CC4=C(NN=C4)C(=O)O)CC5=CSC=N5

DOS

IR

Vibrations