Geometry & MOs

Info

ID:	85796
PubChem CID:	49879260
Reduced:	ClO2N5C26H26 (1)
Stoich.:	AB2C5D26E26 (1)
Weight, g/mol:	465.98813
ΔH_f, kcal/mol:	8.34
Dipole, Da:	4.2
IP(EA), eV:	-8.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(3-bromophenyl)methylamino]-3-oxopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=NC=C(C(=C12)NCC3=CC=C(C=C3)Cl)C(=O)NCC4CCCO4)C5=CC=CC=C5

DOS

IR

Vibrations