Geometry & MOs

Info

ID:	370647
PubChem CID:	127339806
Reduced:	ON6C22H30 (1)
Stoich.:	AB6C22D30 (1)
Weight, g/mol:	394.17871
ΔH_f, kcal/mol:	26.91
Dipole, Da:	5.11
IP(EA), eV:	-9.11(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,2-dimethylimidazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCC(C)N1C2=NC(=CC(=C2C=N1)C(=O)N3CCC(CC3)C4=CN(N=C4)CC)C

DOS

IR

Vibrations