Geometry & MOs

Info

ID:	159349
PubChem CID:	57269655
Reduced:	OC16H22 (1)
Stoich.:	AB16C22 (1)
Weight, g/mol:	553.173885
ΔH_f, kcal/mol:	-31.46
Dipole, Da:	3.35
IP(EA), eV:	-9.09(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[acetyl-[4-methyl-5,5-bis(sulfanyl)pent-2-en-2-yl]amino]ethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CC(C)C=C(C)C=O

DOS

IR

Vibrations