Geometry & MOs

Info

ID:	447496
PubChem CID:	135283355
Reduced:	BrCl2N7O15C32H52 (1)
Stoich.:	AB2C7D15E32F52 (1)
Weight, g/mol:	305.97529
ΔH_f, kcal/mol:	-677.0
Dipole, Da:	11.27
IP(EA), eV:	-9.76(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxyethyl 2-iodo-2-phenylacetate

Drug info:

PubChemData

Smile

CCN(C(=O)CCC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)COCCOCCNC(=O)CBr)OCCOCC(=O)N(CCNC(=O)CCl)CCNC(=O)CCl

DOS

IR

Vibrations