Geometry & MOs

Info

ID:	231503
PubChem CID:	87573941
Reduced:	NO4C30H43 (1)
Stoich.:	AB4C30D43 (1)
Weight, g/mol:	597.106451
ΔH_f, kcal/mol:	-197.44
Dipole, Da:	9.35
IP(EA), eV:	-8.88(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitrophenyl)propan-1-amine

Drug info:

PubChemData

Smile

CCCCC(CC)CC1=CC(=C(C(=C1N)CC(CC)CCCC)O)C(=O)C2=CC=CC=C2C(=O)O

DOS

IR

Vibrations