Geometry & MOs

Info

ID:	56899
PubChem CID:	22394798
Reduced:	S2N3O6C19H27 (1)
Stoich.:	A2B3C6D19E27 (1)
Weight, g/mol:	564.16574
ΔH_f, kcal/mol:	-210.4
Dipole, Da:	6.19
IP(EA), eV:	-9.35(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-N-(3,4-dihydroxy-6-methylsulfanyl-1-phenylhexan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CN(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)C(C(CCOC)O)O)S(=O)(=O)C

DOS

IR

Vibrations