Geometry & MOs

Info

ID:	227345
PubChem CID:	87561397
Reduced:	ON2H24C26 (1)
Stoich.:	AB2C24D26 (1)
Weight, g/mol:	399.128649
ΔH_f, kcal/mol:	28.72
Dipole, Da:	3.76
IP(EA), eV:	-8.32(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[benzyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3=C(CCN2C=O)C4=C(C=CC=C4N3)C5=CC=C(C=C5)C

DOS

IR

Vibrations