Geometry & MOs

Info

ID:	438146
PubChem CID:	135227774
Reduced:	S2N4O12C29H34 (1)
Stoich.:	A2B4C12D29E34 (1)
Weight, g/mol:	371.176644
ΔH_f, kcal/mol:	-470.87
Dipole, Da:	11.62
IP(EA), eV:	-8.71(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylamino]pentan-3-yloxy]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SNC(=O)OC(C)C(=O)OC(C)C(=O)NC(=O)NC(=O)C(C)OC(=O)C(C)OC(=O)NS(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations