Geometry & MOs

Info

ID:	170540
PubChem CID:	75249132
Reduced:	N3O5F6H31C34 (1)
Stoich.:	A3B5C6D31E34 (1)
Weight, g/mol:	406.210387
ΔH_f, kcal/mol:	-456.24
Dipole, Da:	6.55
IP(EA), eV:	-9.28(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;1-(tert-butylamino)-3-(4-phenylbut-3-en-2-ylideneamino)oxypropan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)C5(N2)CCCN(C5=O)CC6=CC=C(C=C6)C(F)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations