Geometry & MOs

Info

ID:	171926
PubChem CID:	75441965
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	397.167142
ΔH_f, kcal/mol:	-40.43
Dipole, Da:	3.84
IP(EA), eV:	-8.81(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)carbamoyl]amino]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)NC(=O)NCC(CO)O

DOS

IR

Vibrations