Geometry & MOs

Info

ID:	148743
PubChem CID:	53788412
Reduced:	SN5O6C35H41 (1)
Stoich.:	AB5C6D35E41 (1)
Weight, g/mol:	555.368875
ΔH_f, kcal/mol:	-178.68
Dipole, Da:	10.9
IP(EA), eV:	-8.29(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(dimethylamino)butoxy-hydroxyphosphanyl]oxy-3-(4-tetradecoxyphenyl)propan-2-yl] formate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(N=C(N2)SCCCC(=O)N[C@@H](CCCCNC(=O)NCC3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations