Geometry & MOs

Info

ID:	244199
PubChem CID:	99319345
Reduced:	FNOH11C12 (2)
Stoich.:	ABCD11E12 (2)
Weight, g/mol:	488.088531
ΔH_f, kcal/mol:	-118.59
Dipole, Da:	1.14
IP(EA), eV:	-9.41(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-methylthieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations