Geometry & MOs

Info

ID:	420676
PubChem CID:	135114650
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	342.124943
ΔH_f, kcal/mol:	-67.0
Dipole, Da:	4.62
IP(EA), eV:	-8.68(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylamino]propoxy]benzamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)CN(C)C(C)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations