Geometry & MOs

Info

ID:	325795
PubChem CID:	126685002
Reduced:	ON2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	530.187543
ΔH_f, kcal/mol:	-69.72
Dipole, Da:	2.94
IP(EA), eV:	-8.73(2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(2-formylphenyl) (2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]propanethioate

Drug info:

PubChemData

Smile

CC1CCC(OC1)C2CNC(NC2)C

DOS

IR

Vibrations