Geometry & MOs

Info

ID:	272325
PubChem CID:	103739729
Reduced:	NSO4C18H25 (1)
Stoich.:	ABC4D18E25 (1)
Weight, g/mol:	439.18173
ΔH_f, kcal/mol:	-173.03
Dipole, Da:	4.57
IP(EA), eV:	-8.68(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4,4-dimethylthiane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CCCS1)(C(=O)O)N(C(C)C)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations