Geometry & MOs

Info

ID:	29114
PubChem CID:	831680
Reduced:	NSO3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	321.139865
ΔH_f, kcal/mol:	-77.11
Dipole, Da:	2.14
IP(EA), eV:	-8.76(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(cyclobutanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=C(S1)NC(=O)C2=CC=CC3=CC=CC=C32)C(=O)OC

DOS

IR

Vibrations