Geometry & MOs

Info

ID:	382835
PubChem CID:	134974212
Reduced:	N3O5C43H43 (1)
Stoich.:	A3B5C43D43 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	-16.64
Dipole, Da:	3.24
IP(EA), eV:	-9.37(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)ethyl 2-methyl-3-[3-(morpholine-4-carbonyl)phenyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2[C@H](C(C([C@@H](O2)CN3C(=CN=N3)C4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations