Geometry & MOs

Info

ID:	163020
PubChem CID:	57581389
Reduced:	SN2O2H28C30 (1)
Stoich.:	AB2C2D28E30 (1)
Weight, g/mol:	361.092578
ΔH_f, kcal/mol:	-4.02
Dipole, Da:	5.69
IP(EA), eV:	-8.63(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C(=O)CCC(=O)NC3=NC(=C(S3)CC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations