Geometry & MOs

Info

ID:	325919
PubChem CID:	126685558
Reduced:	ClFSN4O4C32H46 (1)
Stoich.:	ABCD4E4F32G46 (1)
Weight, g/mol:	347.16925
ΔH_f, kcal/mol:	-224.96
Dipole, Da:	7.87
IP(EA), eV:	-9.11(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-2-carboxy-6-(methylamino)hexan-2-yl]carbamoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCNC[C@@H]1CCC2=C(C=NC=C2NC(=O)C[C@H](C3CCC(CC3)OC(C)C)C4=CC=C(C=C4)Cl)F

DOS

IR

Vibrations