Geometry & MOs

Info

ID:	407004
PubChem CID:	135079097
Reduced:	NF3O4H26C27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	491.249185
ΔH_f, kcal/mol:	-277.42
Dipole, Da:	6.74
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5R)-5-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-3-enyl]-7-oxo-2,6-dihydro-1H-azepine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C1=C(C=C(C=C1)C(F)(F)F)N=CC2=CC3=CC=CC=C3C=C2)C(=O)OC(C)C

DOS

IR

Vibrations