Geometry & MOs

Info

ID:	164476
PubChem CID:	74403994
Reduced:	NO10C39H57 (1)
Stoich.:	AB10C39D57 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-432.77
Dipole, Da:	7.13
IP(EA), eV:	-8.82(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylideneamino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC1C(C=C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC2C(C(CC(O2)C)N3CCCC3)OC(=O)C4=CC=CC=C4)(C)OC)C)C)(C)O

DOS

IR

Vibrations