Geometry & MOs

Info

ID:	341038
PubChem CID:	127263473
Reduced:	ClN5O5C20H24 (1)
Stoich.:	AB5C5D20E24 (1)
Weight, g/mol:	243.147058
ΔH_f, kcal/mol:	-151.74
Dipole, Da:	3.48
IP(EA), eV:	-8.92(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=N2)OC3=NC(=CC(=C3)C(=O)OC)Cl

DOS

IR

Vibrations