Geometry & MOs

Info

ID:	436371
PubChem CID:	135199459
Reduced:	NO5C22H35 (1)
Stoich.:	AB5C22D35 (1)
Weight, g/mol:	377.256609
ΔH_f, kcal/mol:	-261.16
Dipole, Da:	0.87
IP(EA), eV:	-8.46(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-4-ethyl-3-phenylhexan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H]([C@H](C)OC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)OC

DOS

IR

Vibrations