Geometry & MOs

Info

ID:	30641
PubChem CID:	841611
Reduced:	ClNOSH18C19 (1)
Stoich.:	ABCDE18F19 (1)
Weight, g/mol:	288.98845
ΔH_f, kcal/mol:	-11.39
Dipole, Da:	5.26
IP(EA), eV:	-8.79(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-1-methylpyrazol-3-yl)-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C)NC(=O)C2=C(C3=C(S2)C=C(C=C3)C)Cl

DOS

IR

Vibrations