Geometry & MOs

Info

ID:	46647
PubChem CID:	10525915
Reduced:	N3O6C21H25 (1)
Stoich.:	A3B6C21D25 (1)
Weight, g/mol:	414.10483
ΔH_f, kcal/mol:	-161.11
Dipole, Da:	4.54
IP(EA), eV:	-9.04(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-bromo-2,5,6-trimethyl-4-(2-methylprop-2-enylsulfanyl)phenoxy]-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N=C1O[C@H]2[C@@H](C(OC3=C2C=C(C=C3)C#N)(COC)COC)O)C)C

DOS

IR

Vibrations