Geometry & MOs

Info

ID:	188621
PubChem CID:	77743564
Reduced:	NF2O4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	358.229014
ΔH_f, kcal/mol:	-277.85
Dipole, Da:	5.64
IP(EA), eV:	-10.73(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(tert-butylsulfanylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(=CC(CC1CC1)(F)F)C(=O)O

DOS

IR

Vibrations