Geometry & MOs

Info

ID:	329354
PubChem CID:	126735176
Reduced:	ClSN2O3C25H29 (1)
Stoich.:	ABC2D3E25F29 (1)
Weight, g/mol:	453.208613
ΔH_f, kcal/mol:	-113.98
Dipole, Da:	4.37
IP(EA), eV:	-8.26(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-amino-6-thiophen-2-ylphenyl)-4-imino-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C2CCCN(C2C1)C(=O)C[C@H](C3CC=CS3)C4=CNC5=C4C(=CC=C5)Cl)C(=O)O

DOS

IR

Vibrations