Geometry & MOs

Info

ID:	25643
PubChem CID:	627717
Reduced:	ClFSN3H9C14 (1)
Stoich.:	ABCD3E9F14 (1)
Weight, g/mol:	305.081871
ΔH_f, kcal/mol:	51.41
Dipole, Da:	5.15
IP(EA), eV:	-8.87(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-chlorobenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NN=C(S2)NC3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations