Geometry & MOs

Info

ID:	151671
PubChem CID:	56261070
Reduced:	NBr2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	362.076137
ΔH_f, kcal/mol:	-128.39
Dipole, Da:	3.09
IP(EA), eV:	-9.46(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(O1)C)Br)C(=O)NC(C2=CC=C(C=C2)Br)C(=O)OC

DOS

IR

Vibrations