Geometry & MOs

Info

ID:	326555
PubChem CID:	126687771
Reduced:	NOPF2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	505.315186
ΔH_f, kcal/mol:	-145.74
Dipole, Da:	5.23
IP(EA), eV:	-8.94(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-2-[[(2R)-2-[methyl(undecanoyl)amino]-3-phenylmethoxypropanoyl]amino]propanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1CN(CCO1)CC2=C(C=CC3=C2CCC3)C(F)(F)P

DOS

IR

Vibrations