Geometry & MOs

Info

ID:	347739
PubChem CID:	127272801
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	361.171417
ΔH_f, kcal/mol:	-44.12
Dipole, Da:	11.73
IP(EA), eV:	-8.78(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCC3=CN4CCCCC4=N3

DOS

IR

Vibrations