Geometry & MOs

Info

ID:	194182
PubChem CID:	78495143
Reduced:	OSN2H18C26 (1)
Stoich.:	ABC2D18E26 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	119.05
Dipole, Da:	4.11
IP(EA), eV:	-8.79(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[2-(3-phenylprop-2-enoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C=CC3=C(N=C4N3C=CS4)C5=CC=CC=C5

DOS

IR

Vibrations