Geometry & MOs

Info

ID:	419976
PubChem CID:	135110475
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	384.171893
ΔH_f, kcal/mol:	-106.32
Dipole, Da:	3.0
IP(EA), eV:	-8.7(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]propyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)NCC4(CCCC4)CO

DOS

IR

Vibrations