Geometry & MOs

Info

ID:	22580
PubChem CID:	597805
Reduced:	NPO7C17H26 (1)
Stoich.:	ABC7D17E26 (1)
Weight, g/mol:	387.144689
ΔH_f, kcal/mol:	-366.01
Dipole, Da:	6.19
IP(EA), eV:	-8.64(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-yl)ethyl-di(propan-2-yloxy)phosphorylamino]acetic acid

Drug info:

PubChemData

Smile

CC(C)OP(=O)(N(CCC1=CC2=C(C=C1)OCO2)CC(=O)O)OC(C)C

DOS

IR

Vibrations