Geometry & MOs

Info

ID:	272323
PubChem CID:	103739723
Reduced:	NSO4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	437.16608
ΔH_f, kcal/mol:	-165.11
Dipole, Da:	1.7
IP(EA), eV:	-9.05(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylthiane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C(=O)OCC1=CC=CC=C1)C2(CCCSC2C)C(=O)O

DOS

IR

Vibrations