Geometry & MOs

Info

ID:	276088
PubChem CID:	103820463
Reduced:	NSO2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	299.101371
ΔH_f, kcal/mol:	-94.87
Dipole, Da:	3.92
IP(EA), eV:	-8.98(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)C(=O)C2CCCC3=C2C=CS3)O

DOS

IR

Vibrations