Geometry & MOs

Info

ID:	298617
PubChem CID:	117651832
Reduced:	NOC9H9 (3)
Stoich.:	ABC9D9 (3)
Weight, g/mol:	405.100395
ΔH_f, kcal/mol:	15.84
Dipole, Da:	2.24
IP(EA), eV:	-9.12(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyrimidin-2-yl) N-[3-[(8S)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]carbamate

Drug info:

PubChemData

Smile

C1CN(CCC12CC(=NO2)C3=CC=CC=C3)OC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations