Geometry & MOs

Info

ID:	157683
PubChem CID:	56436461
Reduced:	ClSN4O4C17H21 (1)
Stoich.:	ABC4D4E17F21 (1)
Weight, g/mol:	370.283158
ΔH_f, kcal/mol:	-96.73
Dipole, Da:	6.27
IP(EA), eV:	-9.78(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

DOS

IR

Vibrations