Geometry & MOs

Info

ID:	216489
PubChem CID:	85086309
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	273.114713
ΔH_f, kcal/mol:	-86.94
Dipole, Da:	4.96
IP(EA), eV:	-9.36(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-2-(methylcarbamothioyl)-3-morpholin-4-ylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CC3(C4(C2=O)CC4)OCCO3

DOS

IR

Vibrations