Geometry & MOs

Info

ID:	43983
PubChem CID:	10322702
Reduced:	PN5O7C20H22 (1)
Stoich.:	AB5C7D20E22 (1)
Weight, g/mol:	475.199488
ΔH_f, kcal/mol:	-196.14
Dipole, Da:	3.69
IP(EA), eV:	-9.72(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]benzoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(COCCON1C=NC2=C1N=CN=C2N3C(=O)C4=CC=CC=C4C3=O)OCC

DOS

IR

Vibrations