Geometry & MOs

Info

ID:	308570
PubChem CID:	126497058
Reduced:	N5O9C38H45 (1)
Stoich.:	A5B9C38D45 (1)
Weight, g/mol:	270.113329
ΔH_f, kcal/mol:	-342.31
Dipole, Da:	1.31
IP(EA), eV:	-8.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(hydroxymethyl)-5-(phosphanyloxymethyl)phenyl]-2-(methylamino)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C)C(=O)NC1=CC(=CC(=C1)COC2=C(C=C3C(=C2)NC[C@@H]4CC5=CC=CC=C5N4C3=O)OC)CO)NC(=O)CCCCC(=O)OC

DOS

IR

Vibrations