Geometry & MOs

Info

ID:	445552
PubChem CID:	135267971
Reduced:	SF3O4N9C27H36 (1)
Stoich.:	AB3C4D9E27F36 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-150.94
Dipole, Da:	5.47
IP(EA), eV:	-7.93(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methoxy-2-[[(2S)-2-(methylamino)-4-phenylbutanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCN/C(=C(\C=C/C=NCC1)/NC/N=C\C(=C(\NC2=CC=CC(=C2)NC(=O)C=C)/N=C)\C(F)(F)F)/OC

DOS

IR

Vibrations