Geometry & MOs

Info

ID:	151098
PubChem CID:	53790796
Reduced:	ON2C7H8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	1030.689133
ΔH_f, kcal/mol:	20.35
Dipole, Da:	7.14
IP(EA), eV:	-9.19(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl (2S)-2-[[4-[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoylamino]benzoyl]amino]-4-oxopentanedioate

Drug info:

PubChemData

Smile

CC1=CC(=O)C=CC1=NN

DOS

IR

Vibrations