Geometry & MOs

Info

ID:	26860
PubChem CID:	800467
Reduced:	SN2O4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-148.55
Dipole, Da:	1.55
IP(EA), eV:	-9.57(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(cyclohexanecarbonylamino)acetyl]amino]-3-methylbenzoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCOCC2

DOS

IR

Vibrations