Geometry & MOs

Info

ID:	221116
PubChem CID:	85256873
Reduced:	NOSH13C17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	71.35
Dipole, Da:	1.38
IP(EA), eV:	-8.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-6-(2-phenylpropan-2-ylamino)-1,3-dioxepan-5-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=CC=C(C3=CC=CC=C32)C=NO

DOS

IR

Vibrations