Geometry & MOs

Info

ID:	381487
PubChem CID:	134972243
Reduced:	NSiO4C28H31 (1)
Stoich.:	ABC4D28E31 (1)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	-98.39
Dipole, Da:	3.75
IP(EA), eV:	-9.1(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,4S)-4-[benzyl-[(E,4E)-4-hydroxyiminopent-2-enoyl]amino]-5-phenylpent-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@H]3C=[N+](C[C@@H]4[C@H]3O[C@H](O4)C5=CC=CC=C5)[O-]

DOS

IR

Vibrations