Geometry & MOs

Info

ID:	62056
PubChem CID:	26717297
Reduced:	SN3O5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	454.156243
ΔH_f, kcal/mol:	-63.74
Dipole, Da:	3.99
IP(EA), eV:	-9.23(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N(C)[C@@H](C)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations