Geometry & MOs

Info

ID:	325793
PubChem CID:	126684997
Reduced:	ON2C21H36 (1)
Stoich.:	AB2C21D36 (1)
Weight, g/mol:	521.16608
ΔH_f, kcal/mol:	-77.13
Dipole, Da:	3.71
IP(EA), eV:	-7.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(2-formylphenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylbutanethioate

Drug info:

PubChemData

Smile

CC[C@@H](C(CC)N)N/C=C\1/C=C(C=C(C1=O)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations