Geometry & MOs

Info

ID:	434426
PubChem CID:	135174912
Reduced:	NSO2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	270.103814
ΔH_f, kcal/mol:	-73.24
Dipole, Da:	2.48
IP(EA), eV:	-8.87(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[6-[2-(sulfanylamino)ethoxy]pyridin-3-yl]oxybutan-2-one

Drug info:

PubChemData

Smile

CC(C)C(=O)CC1=CC=C(C=C1)OC2CC(C2)NC(C)S

DOS

IR

Vibrations