Geometry & MOs

Info

ID:	157265
PubChem CID:	56422479
Reduced:	N3O5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	432.128584
ΔH_f, kcal/mol:	-129.37
Dipole, Da:	9.37
IP(EA), eV:	-9.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]amino]-3-oxopropyl]sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)OC(=O)C=C2COC(=O)CCNC(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations