Geometry & MOs

Info

ID:	136298
PubChem CID:	52013372
Reduced:	ClOSN2C20H21 (1)
Stoich.:	ABCD2E20F21 (1)
Weight, g/mol:	392.117235
ΔH_f, kcal/mol:	-0.66
Dipole, Da:	1.99
IP(EA), eV:	-8.43(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[4-[(3-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

C1CCC(C1)N2C3=C(C=C2C(=O)NCCC4=CC=CC=C4Cl)SC=C3

DOS

IR

Vibrations