Geometry & MOs

Info

ID:	436466
PubChem CID:	135203267
Reduced:	N11O11C50H89 (1)
Stoich.:	A11B11C50D89 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-588.6
Dipole, Da:	5.66
IP(EA), eV:	-8.33(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-carbamoylphenoxy)methyl]cyclohexyl]carbamic acid

Drug info:

Smile

CCCCCCCC[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C)NC(=O)C1=COC=N1

DOS

IR

Vibrations