Geometry & MOs

Info

ID:	178215
PubChem CID:	76296169
Reduced:	SN3O4C27H29 (1)
Stoich.:	AB3C4D27E29 (1)
Weight, g/mol:	498.230077
ΔH_f, kcal/mol:	-70.3
Dipole, Da:	6.67
IP(EA), eV:	-8.98(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pentanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC=C2C=CC(=O)N3CCCN(CC3)C(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations