Geometry & MOs

Info

ID:	186988
PubChem CID:	77512158
Reduced:	ClN2O3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	476.144216
ΔH_f, kcal/mol:	-140.43
Dipole, Da:	3.13
IP(EA), eV:	-9.54(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[amino-[[5-(2,5-difluorophenyl)-3-(2-methoxypropanoyl)-2-phenyl-1,3,4-thiadiazol-2-yl]-methylamino]methylidene]urea

Drug info:

PubChemData

Smile

C1CC1NCC2C(CN(C2CC3=CC=CC=C3)C(=O)O)O.Cl

DOS

IR

Vibrations