Geometry & MOs

Info

ID:	156152
PubChem CID:	56369333
Reduced:	S2N4O5C21H30 (1)
Stoich.:	A2B4C5D21E30 (1)
Weight, g/mol:	355.12593
ΔH_f, kcal/mol:	-156.9
Dipole, Da:	10.02
IP(EA), eV:	-9.03(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)propyl]-4-bromo-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations