Geometry & MOs

Info

ID:	423563
PubChem CID:	135119745
Reduced:	ClFO4N5C27H31 (1)
Stoich.:	ABC4D5E27F31 (1)
Weight, g/mol:	400.247441
ΔH_f, kcal/mol:	-135.3
Dipole, Da:	6.04
IP(EA), eV:	-8.66(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-5-[(1S,5S)-7-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]phenyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)CN2CCCC(=O)NCC3=C(C=CC=C3F)OC4=C(C=C(C=C4)C(=O)NCCC2)OC)Cl

DOS

IR

Vibrations