Geometry & MOs

Info

ID:	170740
PubChem CID:	75273947
Reduced:	S3N4O8C21H32 (1)
Stoich.:	A3B4C8D21E32 (1)
Weight, g/mol:	280.167459
ΔH_f, kcal/mol:	-335.09
Dipole, Da:	4.36
IP(EA), eV:	-9.18(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)hexan-2-yl prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NCC(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)CS(=O)(=O)C

DOS

IR

Vibrations