Geometry & MOs

Info

ID:	335925
PubChem CID:	127254787
Reduced:	SN3O5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	373.19026
ΔH_f, kcal/mol:	-149.79
Dipole, Da:	6.23
IP(EA), eV:	-8.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-propan-2-ylindol-3-yl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NC2=CC(=CC=C2)N3CCCCS3(=O)=O

DOS

IR

Vibrations