Geometry & MOs

Info

ID:	46965
PubChem CID:	10528677
Reduced:	OCl2N2C28H28 (1)
Stoich.:	AB2C2D28E28 (1)
Weight, g/mol:	383.111735
ΔH_f, kcal/mol:	26.82
Dipole, Da:	0.87
IP(EA), eV:	-9.22(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]prop-2-enoyl]oxyacetic acid

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC(=CC(=C2)Cl)Cl)O)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations