Geometry & MOs

Info

ID:	69465
PubChem CID:	47184086
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	363.87036
ΔH_f, kcal/mol:	-44.73
Dipole, Da:	4.16
IP(EA), eV:	-8.99(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(5-bromothiophen-3-yl)methyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCCCNC(=O)CSCC#N

DOS

IR

Vibrations