Geometry & MOs

Info

ID:	26604
PubChem CID:	793455
Reduced:	NO4C17H29 (1)
Stoich.:	AB4C17D29 (1)
Weight, g/mol:	325.088498
ΔH_f, kcal/mol:	-227.21
Dipole, Da:	3.74
IP(EA), eV:	-9.76(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-methyl-2-[(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=O)CC[C@@H](C(=O)OC2CCCCC2)N

DOS

IR

Vibrations