Geometry & MOs

Info

ID:	153410
PubChem CID:	56312603
Reduced:	F3N3O4C24H30 (1)
Stoich.:	A3B3C4D24E30 (1)
Weight, g/mol:	481.218841
ΔH_f, kcal/mol:	-312.61
Dipole, Da:	3.58
IP(EA), eV:	-9.11(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2,4-dimethyl-5-[[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(NC(=C1C(=O)OC)C)C(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations