Geometry & MOs

Info

ID:	148606
PubChem CID:	53788274
Reduced:	NO3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	506.241687
ΔH_f, kcal/mol:	-143.63
Dipole, Da:	0.57
IP(EA), eV:	-8.62(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(2S)-1-[[(1S,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]benzoate

Drug info:

PubChemData

Smile

C1CCN(C1)CCC(C2CC[C@@H]([C@H](C2)O)O)(C3=CC=CC=C3)O

DOS

IR

Vibrations