Geometry & MOs

Info

ID:	443100
PubChem CID:	135257695
Reduced:	ClSN2F5O5H28C30 (1)
Stoich.:	ABC2D5E5F28G30 (1)
Weight, g/mol:	588.298808
ΔH_f, kcal/mol:	-373.52
Dipole, Da:	5.1
IP(EA), eV:	-9.42(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=C(C=C(C=C3)C(=O)O)Cl)N(C)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations