Geometry & MOs

Info

ID:	153635
PubChem CID:	56312910
Reduced:	O2F3N5C20H20 (1)
Stoich.:	A2B3C5D20E20 (1)
Weight, g/mol:	462.182458
ΔH_f, kcal/mol:	-123.3
Dipole, Da:	5.09
IP(EA), eV:	-9.38(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxy-5-morpholin-4-ylsulfonyl-N-(3-phenylbutyl)benzamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=C(N(N=C1)C2=NN=C(C=C2)OC)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations