Geometry & MOs

Info

ID:	280705
PubChem CID:	103850842
Reduced:	N2S2O3C14H18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	219.147058
ΔH_f, kcal/mol:	-82.08
Dipole, Da:	4.68
IP(EA), eV:	-9.08(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybutanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CSC=C2)C(=O)NC(CCO)COC

DOS

IR

Vibrations