Geometry & MOs

Info

ID:	441402
PubChem CID:	135234531
Reduced:	P2O5C53H56 (1)
Stoich.:	A2B5C53D56 (1)
Weight, g/mol:	323.128645
ΔH_f, kcal/mol:	-188.09
Dipole, Da:	2.79
IP(EA), eV:	-8.76(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-formyl-3-hydroxyphenoxy)methyl]-4-methylphosphepane-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C)(C)C(C)(C1=CC=C(C=C1)C2CC(C3=CC(=CC=C3)OC4=CC=CC5=C4OP2(=O)C6=CC=CC=C56)C(C)(CC)CC)P7(=O)C8=CC=CC=C8C9=CC=CC=C9O7

DOS

IR

Vibrations