Geometry & MOs

Info

ID:	272327
PubChem CID:	103739814
Reduced:	NSO4C19H27 (1)
Stoich.:	ABC4D19E27 (1)
Weight, g/mol:	453.19738
ΔH_f, kcal/mol:	-179.74
Dipole, Da:	2.96
IP(EA), eV:	-8.56(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[9H-fluoren-9-ylmethoxycarbonyl(propan-2-yl)amino]-5,5-dimethylthiane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N(C(=O)OCC1=CC=CC=C1)C2(CC(CSC2)(C)C)C(=O)O

DOS

IR

Vibrations