Geometry & MOs

Info

ID:	154436
PubChem CID:	56313874
Reduced:	O3S3N4C20H22 (1)
Stoich.:	A3B3C4D20E22 (1)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	-30.28
Dipole, Da:	3.14
IP(EA), eV:	-8.43(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCCN(CC3)C4=NC=CS4

DOS

IR

Vibrations