Geometry & MOs

Info

ID:	59824
PubChem CID:	24898578
Reduced:	S2O3N5C22H25 (1)
Stoich.:	A2B3C5D22E25 (1)
Weight, g/mol:	387.157436
ΔH_f, kcal/mol:	-47.68
Dipole, Da:	9.13
IP(EA), eV:	-8.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-1-(4-chloro-5-methylpyrimidin-2-yl)-N-[(3-methylimidazol-4-yl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=C2CC3=CN=C4N3C(=CC=C4)C)SCCCS(=O)(=O)NC(=O)C)C=C1

DOS

IR

Vibrations