Geometry & MOs

Info

ID:	43811
PubChem CID:	10321820
Reduced:	F2N2O4C25H26 (1)
Stoich.:	A2B2C4D25E26 (1)
Weight, g/mol:	456.156637
ΔH_f, kcal/mol:	-198.31
Dipole, Da:	3.7
IP(EA), eV:	-9.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-3-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C1=NC=C(C=C1)C(CC2=CNC(=O)C=C2)C3=CC(=C(C=C3)OC(F)F)OC4CC4)O

DOS

IR

Vibrations