Geometry & MOs

Info

ID:	33429
PubChem CID:	7886418
Reduced:	O2S2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	357.039545
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	2.28
IP(EA), eV:	-8.69(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dichloro-4-methylpyridin-2-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)OC)SC2=NC=NC3=C2C4=C(S3)CCCC4

DOS

IR

Vibrations