Geometry & MOs

Info

ID:	140310
PubChem CID:	52680746
Reduced:	FO2S2N3C22H24 (1)
Stoich.:	AB2C2D3E22F24 (1)
Weight, g/mol:	382.150427
ΔH_f, kcal/mol:	-45.46
Dipole, Da:	0.38
IP(EA), eV:	-8.59(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-3-ethyl-5-methyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=CS1)CN2CCN(CC2)CC3=CC=C(S3)C4=CC(=CC=C4)F

DOS

IR

Vibrations