Geometry & MOs

Info

ID:	29373
PubChem CID:	833411
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	330.103814
ΔH_f, kcal/mol:	-28.65
Dipole, Da:	5.35
IP(EA), eV:	-8.77(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)NC(=S)N2CCCC3=CC=CC=C32

DOS

IR

Vibrations