Geometry & MOs

Info

ID:	308405
PubChem CID:	125326927
Reduced:	N3O6C32H33 (1)
Stoich.:	A3B6C32D33 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	-109.17
Dipole, Da:	5.41
IP(EA), eV:	-8.24(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-5-(3-methylbutyl)-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN2CC(=O)N3[C@@H](C2=O)CC4=C5C=CC=CC5=N[C@H]4[C@@H]3C6=CC(=C(C=C6)OC)OC)OC

DOS

IR

Vibrations