Geometry & MOs

Info

ID:	214569
PubChem CID:	85083209
Reduced:	SN2O5C31H38 (1)
Stoich.:	AB2C5D31E38 (1)
Weight, g/mol:	550.201669
ΔH_f, kcal/mol:	-150.78
Dipole, Da:	2.54
IP(EA), eV:	-8.59(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[(4-chlorophenyl)methoxymethyl]-5-hydroxy-2-methylsulfanyl-4-phenylmethoxyoxan-3-yl]-4-(diaminomethylideneamino)butanamide

Drug info:

PubChemData

Smile

CSC1C(C(C(C(O1)COCC2=CC=C(C=C2)C3=CC=CC=C3)O)OCC4=CC=CC=C4)NC(=O)CCCN

DOS

IR

Vibrations