Geometry & MOs

Info

ID:	167273
PubChem CID:	74799968
Reduced:	ClFSO3N4C22H22 (1)
Stoich.:	ABCD3E4F22G22 (1)
Weight, g/mol:	510.213027
ΔH_f, kcal/mol:	-80.22
Dipole, Da:	8.36
IP(EA), eV:	-9.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4-ethylphenyl)methyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=CC(=O)NCCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(CO)O)Cl

DOS

IR

Vibrations