Geometry & MOs

Info

ID:	153409
PubChem CID:	56312600
Reduced:	FSN3O4C26H26 (1)
Stoich.:	ABC3D4E26F26 (1)
Weight, g/mol:	481.218841
ΔH_f, kcal/mol:	-103.78
Dipole, Da:	4.78
IP(EA), eV:	-9.36(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-[[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]-4-propyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations