Geometry & MOs

Info

ID:	329170
PubChem CID:	126731485
Reduced:	ClOSN3F4H14C21 (1)
Stoich.:	ABCD3E4F14G21 (1)
Weight, g/mol:	362.184172
ΔH_f, kcal/mol:	-132.18
Dipole, Da:	4.87
IP(EA), eV:	-9.15(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-diamino-5-oxo-4-[(3-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CNC2=NC=C1Cl)C(=O)C3=C(C=CC(=C3F)NSC4=C(CCC(=C4)F)F)F

DOS

IR

Vibrations