Geometry & MOs

Info

ID:	310107
PubChem CID:	126574445
Reduced:	O10C25H46 (1)
Stoich.:	A10B25C46 (1)
Weight, g/mol:	399.112958
ΔH_f, kcal/mol:	-527.69
Dipole, Da:	6.29
IP(EA), eV:	-10.49(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S)-3-(2,3-difluorophenyl)-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)methyl]oxolan-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCCCC(=O)O)C(=O)OCC(CO)O.C(CC(=O)O)C(=O)O

DOS

IR

Vibrations