Geometry & MOs

Info

ID:	47058
PubChem CID:	10529227
Reduced:	SN2O6C26H26 (1)
Stoich.:	AB2C6D26E26 (1)
Weight, g/mol:	494.231791
ΔH_f, kcal/mol:	-152.68
Dipole, Da:	2.91
IP(EA), eV:	-8.75(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[benzotriazol-2-yl-(4-methoxyphenyl)-phenylmethyl]-2-tert-butyl-N-hydroxycyclohexa-2,5-dien-1-imine oxide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(=O)C2=C3C[C@@H]([C@@H]3S[C@H]4N2C(=O)[C@H]4NC(=O)CC5=CC=CC=C5)CO

DOS

IR

Vibrations