Geometry & MOs

Info

ID:	271638
PubChem CID:	103686703
Reduced:	NSO4C17H31 (1)
Stoich.:	ABC4D17E31 (1)
Weight, g/mol:	435.240959
ΔH_f, kcal/mol:	-245.31
Dipole, Da:	4.13
IP(EA), eV:	-8.78(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-2,3-dimethylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(CC(C1)SCCC(C(=O)O)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations