Geometry & MOs

Info

ID:	284754
PubChem CID:	104068719
Reduced:	N2O2S2C15H18 (1)
Stoich.:	A2B2C2D15E18 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-37.41
Dipole, Da:	3.68
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CC1=NC(=CS1)CSC2=CC=C(C=C2)CO

DOS

IR

Vibrations