Geometry & MOs

Info

ID:	242553
PubChem CID:	97302030
Reduced:	SN2O5C19H24 (1)
Stoich.:	AB2C5D19E24 (1)
Weight, g/mol:	465.2475
ΔH_f, kcal/mol:	-212.46
Dipole, Da:	4.27
IP(EA), eV:	-9.07(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]-4-(4-carboxy-4-methylpentoxy)phenoxy]-2,2-dimethylpentanoic acid

Drug info:

PubChemData

Smile

C[C@@H](CSC(=O)[C@H](C1=CC=CC=C1)NC(=O)C)C(=O)N2CCC[C@@H]2C(=O)O

DOS

IR

Vibrations