Geometry & MOs

Info

ID:	174815
PubChem CID:	75819410
Reduced:	ClN3O4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	419.175302
ΔH_f, kcal/mol:	-149.22
Dipole, Da:	3.43
IP(EA), eV:	-8.86(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]carbamoylamino]-1-thiophen-2-ylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Cl)NC(=O)NC2=CC=C(C=C2)CC(=O)NCC(=O)OC

DOS

IR

Vibrations