Geometry & MOs

Info

ID:	305586
PubChem CID:	124960960
Reduced:	O3N5C27H29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	471.22704
ΔH_f, kcal/mol:	-37.75
Dipole, Da:	3.37
IP(EA), eV:	-8.85(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-4-(4-methylphenyl)-10-[3-(pyrimidin-2-ylamino)benzoyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C[C@]3(CCCN(CC3)C(=O)C4=CC(=CC=C4)NC5=NC=CC=N5)OCC2=O

DOS

IR

Vibrations