Geometry & MOs

Info

ID:	191280
PubChem CID:	78124747
Reduced:	S2N3O4C30H43 (1)
Stoich.:	A2B3C4D30E43 (1)
Weight, g/mol:	595.217464
ΔH_f, kcal/mol:	-150.17
Dipole, Da:	3.1
IP(EA), eV:	-9.26(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1,3-benzothiazol-6-ylsulfonyl(2-methylpentyl)amino]-2-hydroxy-5-phenylpentan-3-yl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CCCC(C)CN(CC(C(CCC1=CC=CC=C1)NC(=O)C(C)C(C)C)O)S(=O)(=O)C2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations