Geometry & MOs

Info

ID:	178534
PubChem CID:	76343913
Reduced:	SO3N5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	492.240641
ΔH_f, kcal/mol:	-100.95
Dipole, Da:	8.06
IP(EA), eV:	-8.34(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylpentanoyl]piperidin-4-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1C=CC2=C1C=CC(=C2)NC(=O)C3CCC4C(C3)NC(=S)NC4=O

DOS

IR

Vibrations