Geometry & MOs

Info

ID:	229247
PubChem CID:	87567259
Reduced:	FSN3O3C26H32 (1)
Stoich.:	ABC3D3E26F32 (1)
Weight, g/mol:	251.100502
ΔH_f, kcal/mol:	-89.34
Dipole, Da:	4.59
IP(EA), eV:	-8.86(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbonic acid;(2S)-2-(3-hydroxypropanoylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCCN1C=C(C=N1)/C=C\2/CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations