Geometry & MOs

Info

ID:	85797
PubChem CID:	49879313
Reduced:	BrO2S2N6H15C16 (1)
Stoich.:	AB2C2D6E15F16 (1)
Weight, g/mol:	480.103831
ΔH_f, kcal/mol:	43.88
Dipole, Da:	5.3
IP(EA), eV:	-9.9(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)C2=NN=C(S2)CCC(=O)NCC3=CC(=CC=C3)Br

DOS

IR

Vibrations