Geometry & MOs

Info

ID:	145825
PubChem CID:	53598469
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-76.47
Dipole, Da:	4.08
IP(EA), eV:	-8.67(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[benzyl(methyl)carbamoyl]amino]-N-(3-methoxypropyl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2(CCCC2)NC(=O)COC3=CC=CC=C3OC

DOS

IR

Vibrations