Geometry & MOs

Info

ID:	325811
PubChem CID:	126685076
Reduced:	ClOSN4C16H19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	396.06195
ΔH_f, kcal/mol:	37.01
Dipole, Da:	3.85
IP(EA), eV:	-8.43(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-(3-bromo-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methylsulfanylpentanamide

Drug info:

PubChemData

Smile

CCN(C1=CN(N=C1Cl)C2=CN=CC=C2)C(=O)C(C)S/C=C/C

DOS

IR

Vibrations