Geometry & MOs

Info

ID:	44578
PubChem CID:	10504164
Reduced:	F3O7C22H27 (1)
Stoich.:	A3B7C22D27 (1)
Weight, g/mol:	460.26857
ΔH_f, kcal/mol:	-425.3
Dipole, Da:	4.04
IP(EA), eV:	-10.0(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[[(2E)-2-(formylhydrazinylidene)heptanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1C=C[C@@H]([C@H]1COCOC)COC(=O)[C@](C2=CC=CC=C2)(C(F)(F)F)OC

DOS

IR

Vibrations