Geometry & MOs

Info

ID:	444362
PubChem CID:	135262195
Reduced:	ClN5O7C40H42 (1)
Stoich.:	AB5C7D40E42 (1)
Weight, g/mol:	421.205322
ΔH_f, kcal/mol:	-193.71
Dipole, Da:	5.32
IP(EA), eV:	-9.08(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[(1-fluorocyclohexa-2,4-dien-1-yl)-pentanoylamino]methyl]phenyl]benzoate

Drug info:

PubChemData

Smile

CC1=C2C=CC(=CC2=NC=C1N3CCC(=O)NC3=O)OCCOCCOC4=CC=C(C=C4)C(=O)NC5C(C(C5(C)C)OC6=CC(=C(C=C6)C#N)Cl)(C)C

DOS

IR

Vibrations