Geometry & MOs

Info

ID:	426156
PubChem CID:	135141574
Reduced:	SO3N6C28H32 (1)
Stoich.:	AB3C6D28E32 (1)
Weight, g/mol:	530.21001
ΔH_f, kcal/mol:	-49.18
Dipole, Da:	2.25
IP(EA), eV:	-9.1(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-[5-[(1-acetylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridin-3-yl]propyl]-1H-indazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CN=CC(=C1)C2=CSC(=C2)C(=O)NC3CCN(CC3)C(=O)C)NC(=O)C4=CC(=C(C=C4)N)C=N

DOS

IR

Vibrations