Geometry & MOs

Info

ID:	325812
PubChem CID:	126685086
Reduced:	BrOSN4C16H21 (1)
Stoich.:	ABCD4E16F21 (1)
Weight, g/mol:	382.0463
ΔH_f, kcal/mol:	14.28
Dipole, Da:	1.62
IP(EA), eV:	-8.69(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=CN(N=C1Br)C2=CN=CC=C2)C(=O)CC[C@H](C)SC

DOS

IR

Vibrations