Geometry & MOs

Info

ID:	146754
PubChem CID:	53744743
Reduced:	N11O11C57H111 (1)
Stoich.:	A11B11C57D111 (1)
Weight, g/mol:	511.257003
ΔH_f, kcal/mol:	-400.35
Dipole, Da:	4.65
IP(EA), eV:	-8.15(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(phenylmethoxycarbonylamino)-3-[3-(6-propyloxan-2-yl)propanoyloxy]propanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCOC(CN2CCNCC2)COC(C(COC(C(CN3CCCCC3)OCCN4CCOCC4)OC(COCCN5CCCCC5)(O)OCCCN6CCCC6)OCCN7CCNCC7)N8CCOCC8

DOS

IR

Vibrations