Geometry & MOs

Info

ID:	133124
PubChem CID:	51480289
Reduced:	SN3O7C20H23 (1)
Stoich.:	AB3C7D20E23 (1)
Weight, g/mol:	455.172621
ΔH_f, kcal/mol:	-238.8
Dipole, Da:	5.83
IP(EA), eV:	-9.4(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate

Drug info:

PubChemData

Smile

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)C

DOS

IR

Vibrations