Geometry & MOs

Info

ID:	144141
PubChem CID:	53319998
Reduced:	Cl2O2N7C26H27 (1)
Stoich.:	A2B2C7D26E27 (1)
Weight, g/mol:	527.134518
ΔH_f, kcal/mol:	30.52
Dipole, Da:	3.76
IP(EA), eV:	-9.11(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-methoxycarbonylphenoxy)-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]oxybenzoate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CCN2CCC(CC2)C3=NC(=NO3)C4=CN=CC=C4)C5=NC6=CC(=C(C=C6N5)Cl)Cl

DOS

IR

Vibrations