Geometry & MOs

Info

ID:	195019
PubChem CID:	78622088
Reduced:	NSO4C18H27 (1)
Stoich.:	ABC4D18E27 (1)
Weight, g/mol:	361.114793
ΔH_f, kcal/mol:	-186.6
Dipole, Da:	4.7
IP(EA), eV:	-9.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCCCOC(C)C

DOS

IR

Vibrations