Geometry & MOs

Info

ID:	186900
PubChem CID:	77502811
Reduced:	N3O5C29H37 (1)
Stoich.:	A3B5C29D37 (1)
Weight, g/mol:	541.149441
ΔH_f, kcal/mol:	-162.78
Dipole, Da:	2.43
IP(EA), eV:	-8.52(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(benzenesulfonylmethyl)cyclohexyl]amino]-2-oxoethyl]carbamoyl-[4-(trifluoromethyl)phenyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C3CC2NCC(C(NC(=O)C(CC=CCO3)C(=O)N)CC4=CC=CC=C4)O

DOS

IR

Vibrations