Geometry & MOs

Info

ID:	393100
PubChem CID:	135019345
Reduced:	NSO4H29C33 (1)
Stoich.:	ABC4D29E33 (1)
Weight, g/mol:	371.10929
ΔH_f, kcal/mol:	-68.52
Dipole, Da:	5.26
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-[2-(3-methoxyphenyl)-1H-imidazol-5-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@](C(C2)C(=O)C3=CC4=CC=CC=C4C=C3)(C5=CC6=CC=CC=C6C=C5)O

DOS

IR

Vibrations