Geometry & MOs

Info

ID:	135344
PubChem CID:	51855127
Reduced:	ClON7C20H20 (1)
Stoich.:	ABC7D20E20 (1)
Weight, g/mol:	418.099215
ΔH_f, kcal/mol:	94.15
Dipole, Da:	1.72
IP(EA), eV:	-9.4(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC=NN1C[C@@H](C)CNC(=O)C2=CC(=NC3=NC=NN23)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations