Geometry & MOs

Info

ID:	37142
PubChem CID:	8017383
Reduced:	BrClN3O3H9C15 (1)
Stoich.:	ABC3D3E9F15 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-37.73
Dipole, Da:	1.29
IP(EA), eV:	-9.48(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)Cl

DOS

IR

Vibrations