Geometry & MOs

Info

ID:	36354
PubChem CID:	8002129
Reduced:	ClSO3N4C17H23 (1)
Stoich.:	ABC3D4E17F23 (1)
Weight, g/mol:	426.182254
ΔH_f, kcal/mol:	2.08
Dipole, Da:	2.47
IP(EA), eV:	-6.97(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C[NH+](CC[NH+]1CC2=CC=C(S2)Cl)CC(=O)NC(=O)NCC3=CC=CO3

DOS

IR

Vibrations