Geometry & MOs

Info

ID:	443092
PubChem CID:	135257664
Reduced:	SN2O3F6H24C28 (1)
Stoich.:	AB2C3D6E24F28 (1)
Weight, g/mol:	602.314458
ΔH_f, kcal/mol:	-324.05
Dipole, Da:	2.75
IP(EA), eV:	-9.42(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[(4-cyclohexylphenyl)methyl-[(2R)-pyrrolidine-2-carbonyl]amino]-2-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=C(C=C(C=C3)C(=O)O)F)C(=O)CNSC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations