Geometry & MOs

Info

ID:	128698
PubChem CID:	51054639
Reduced:	NOC4H7 (4)
Stoich.:	ABC4D7 (4)
Weight, g/mol:	386.076137
ΔH_f, kcal/mol:	-114.66
Dipole, Da:	2.97
IP(EA), eV:	-8.32(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCCNC1=C(C(=O)C1=O)NCC(CN2CCOCC2)O

DOS

IR

Vibrations