Geometry & MOs

Info

ID:	284752
PubChem CID:	104068463
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	337.99761
ΔH_f, kcal/mol:	-102.62
Dipole, Da:	2.69
IP(EA), eV:	-9.03(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)C(C)SC1=CC=C(C=C1)CO

DOS

IR

Vibrations