Geometry & MOs

Info

ID:	56911
PubChem CID:	22394858
Reduced:	SN2O5C29H42 (1)
Stoich.:	AB2C5D29E42 (1)
Weight, g/mol:	484.293722
ΔH_f, kcal/mol:	-224.47
Dipole, Da:	6.0
IP(EA), eV:	-8.45(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(C(CCCSC)O)O)C

DOS

IR

Vibrations