Geometry & MOs

Info

ID:	44368
PubChem CID:	10503172
Reduced:	FN2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	438.003025
ΔH_f, kcal/mol:	-56.45
Dipole, Da:	0.55
IP(EA), eV:	-8.24(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-bis[(2-chlorophenyl)methylsulfanyl]-3,8-dioxa-1,6-diazaspiro[4.4]nona-1,6-diene

Drug info:

PubChemData

Smile

CC1CC(N=C1NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC4=NC(CC4C)(C)C)F)F)(C)C

DOS

IR

Vibrations