Geometry & MOs

Info

ID:	445349
PubChem CID:	135266375
Reduced:	ClS2O3N8C51H75 (1)
Stoich.:	AB2C3D8E51F75 (1)
Weight, g/mol:	305.157978
ΔH_f, kcal/mol:	-50.1
Dipole, Da:	4.37
IP(EA), eV:	-7.53(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethenyl-2-(4-fluorophenyl)-1,5-dimethyl-3-(3-methylphenyl)pyrrole

Drug info:

PubChemData

Smile

CCCNCCC(CCC(C)(C)NC1=C(C=C(C=C1)S(=O)NC2=CC=C(C=C2)N(C)CCNC3=CC(C4=C(C3C)N(CCN4C)C)(C)C5=C(N(C(=C5C=O)C)C)/C(=C/C)/C=C\CCl)S)O

DOS

IR

Vibrations