Geometry & MOs

Info

ID:	136323
PubChem CID:	52019963
Reduced:	ClSN3O5H20C24 (1)
Stoich.:	ABC3D5E20F24 (1)
Weight, g/mol:	413.114234
ΔH_f, kcal/mol:	-108.1
Dipole, Da:	7.35
IP(EA), eV:	-8.35(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(6-chloro-1-ethyl-4-oxocinnoline-3-carbonyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C3=NN(C4=C(C3=O)C=C(C=C4)Cl)C

DOS

IR

Vibrations