Geometry & MOs

Info

ID:	191011
PubChem CID:	78093428
Reduced:	BrFO2N5C25H27 (1)
Stoich.:	ABC2D5E25F27 (1)
Weight, g/mol:	657.330577
ΔH_f, kcal/mol:	-39.68
Dipole, Da:	4.22
IP(EA), eV:	-8.82(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-triethylsilyloxy-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-ol

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)NC(=O)C(=CCN4CCCCC4)F

DOS

IR

Vibrations