Geometry & MOs

Info

ID:	185559
PubChem CID:	77314502
Reduced:	SN6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	605.298867
ΔH_f, kcal/mol:	81.17
Dipole, Da:	4.35
IP(EA), eV:	-7.78(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1C(=C2NC(=CS2)C3=CC=CC=C3)N)NCCCN4CCCC4

DOS

IR

Vibrations