Geometry & MOs

Info

ID:	150755
PubChem CID:	53790451
Reduced:	SCl2N6O7H16C19 (1)
Stoich.:	AB2C6D7E16F19 (1)
Weight, g/mol:	509.196725
ΔH_f, kcal/mol:	-143.0
Dipole, Da:	4.01
IP(EA), eV:	-9.74(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(2S)-2-[ethoxy(2-phenylethyl)phosphoryl]oxy-3-phenylpropanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NS(=O)(=O)NC(=O)N2C[C@@H](C2=O)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C

DOS

IR

Vibrations