Geometry & MOs

Info

ID:	185709
PubChem CID:	77336004
Reduced:	NPO6C24H34 (1)
Stoich.:	ABC6D24E34 (1)
Weight, g/mol:	413.23311
ΔH_f, kcal/mol:	-275.54
Dipole, Da:	4.11
IP(EA), eV:	-9.06(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(butoxycarbonylamino)-4-ethylheptyl]-(phenoxymethyl)phosphinic acid

Drug info:

PubChemData

Smile

C1CC(CCC1CCNCC(COC2=CC=CC(=C2)O)O)P(=O)(COC3=CC=CC=C3)O

DOS

IR

Vibrations