Geometry & MOs

Info

ID:	58756
PubChem CID:	24714824
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-93.89
Dipole, Da:	5.34
IP(EA), eV:	-8.42(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-4-[6-(2-methylprop-2-enyl)furo[2,3-b]pyrrole-5-carbonyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(C)O)C3CCCCC3)C

DOS

IR

Vibrations