Geometry & MOs

Info

ID:	38991
PubChem CID:	8138304
Reduced:	F2N4O5C16H16 (1)
Stoich.:	A2B4C5D16E16 (1)
Weight, g/mol:	398.106706
ΔH_f, kcal/mol:	-235.74
Dipole, Da:	2.75
IP(EA), eV:	-9.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NCC(=O)NNC(=O)C2=CC=CN2)OC(F)F

DOS

IR

Vibrations