Geometry & MOs

Info

ID:	392726
PubChem CID:	135017753
Reduced:	NSO5C21H21 (1)
Stoich.:	ABC5D21E21 (1)
Weight, g/mol:	325.225308
ΔH_f, kcal/mol:	-151.41
Dipole, Da:	6.38
IP(EA), eV:	-8.89(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclohexyl-2-(2,2-dimethylhex-5-enoxycarbonylamino)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3CC=O)CCC(=O)OC

DOS

IR

Vibrations