Geometry & MOs

Info

ID:	362617
PubChem CID:	127308885
Reduced:	BrO2S2N3C13H14 (1)
Stoich.:	AB2C2D3E13F14 (1)
Weight, g/mol:	384.02556
ΔH_f, kcal/mol:	-7.11
Dipole, Da:	1.55
IP(EA), eV:	-9.3(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)NCC2=CC=C(S2)Br)C3=NC=CS3

DOS

IR

Vibrations