Geometry & MOs

Info

ID:	146460
PubChem CID:	53693278
Reduced:	Cl2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	511.195465
ΔH_f, kcal/mol:	69.42
Dipole, Da:	4.89
IP(EA), eV:	-8.71(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-ethyl 2-O-prop-2-enyl (6S,7S)-8-oxo-7-[[2-phenyl-2-(prop-2-enoxycarbonylamino)acetyl]amino]-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=NN2C(=C1)CCCN(C)C3CC3)C)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations