Geometry & MOs

Info

ID:	79845
PubChem CID:	49830795
Reduced:	N2S2O3H14C16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	380.156101
ΔH_f, kcal/mol:	-53.23
Dipole, Da:	6.19
IP(EA), eV:	-9.41(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)C2=CN=CC3=C2C=C(S3)C(=O)N

DOS

IR

Vibrations