Geometry & MOs

Info

ID:	156396
PubChem CID:	56370443
Reduced:	SN4O4C24H38 (1)
Stoich.:	AB4C4D24E38 (1)
Weight, g/mol:	437.279075
ΔH_f, kcal/mol:	-195.77
Dipole, Da:	3.65
IP(EA), eV:	-8.03(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-5-cyclopropyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N1CCC(CC1)C(=O)NC(C)CC(=O)NC2=CC(=CC=C2)N3CCCC3

DOS

IR

Vibrations