Geometry & MOs

Info

ID:	38573
PubChem CID:	8137111
Reduced:	N2O4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	-84.03
Dipole, Da:	4.64
IP(EA), eV:	-9.32(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)[C@H](C)OC(=O)C3=CC=CC(=C3O)C

DOS

IR

Vibrations