Geometry & MOs

Info

ID:	148007
PubChem CID:	53787669
Reduced:	ON5C17H26 (2)
Stoich.:	AB5C17D26 (2)
Weight, g/mol:	595.190594
ΔH_f, kcal/mol:	-2.39
Dipole, Da:	5.18
IP(EA), eV:	-7.19(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-5-[[(2-benzamido-3-phenylpropyl)-ethoxyphosphoryl]amino]-4-oxo-2-phenyl-1,3-thiazinan-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3NC2NC4C5CCCCC5C(N4)NC6=C7C(C(C(C(C7O)C#N)C#N)O)C(N6)NC8C9CCCCC9C(N3)N8

DOS

IR

Vibrations