Geometry & MOs

Info

ID:	425543
PubChem CID:	135126671
Reduced:	N7H35C48 (1)
Stoich.:	A7B35C48 (1)
Weight, g/mol:	386.064651
ΔH_f, kcal/mol:	407.38
Dipole, Da:	3.41
IP(EA), eV:	-8.22(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[(3-hydroxyphenyl)sulfinylmethyl]phenyl]methylsulfinyl]phenol

Drug info:

PubChemData

Smile

C=CC1=CN(C2=CC=CC=C21)CC3=NC(=CC=C3)CN4C=C(C5=CC=CC=C54)C67C8=C(CN9C1=CC=CC=C1C6=N9)C=CC=C8CN1C2=CC=CC=C2C7=N1

DOS

IR

Vibrations