Geometry & MOs

Info

ID:	154645
PubChem CID:	56314130
Reduced:	S2N3O5C19H25 (1)
Stoich.:	A2B3C5D19E25 (1)
Weight, g/mol:	420.187206
ΔH_f, kcal/mol:	-165.15
Dipole, Da:	5.93
IP(EA), eV:	-8.72(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N(C)CC(=O)NCCCOC

DOS

IR

Vibrations