Geometry & MOs

Info

ID:	206749
PubChem CID:	80295314
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	217.167794
ΔH_f, kcal/mol:	-84.15
Dipole, Da:	1.26
IP(EA), eV:	-8.92(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-(5-hydroxypentan-2-ylamino)acetate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CNC(C)CCCO)C

DOS

IR

Vibrations