Geometry & MOs

Info

ID:	427035
PubChem CID:	135155156
Reduced:	ClSN3F5O6C29H33 (1)
Stoich.:	ABC3D5E6F29G33 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-446.91
Dipole, Da:	12.23
IP(EA), eV:	-9.66(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-nitrophenyl)methyl]piperidin-4-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)N([C@H](C(=O)N3CCC(CC3)N)C(C4=CC=C(C=C4)Cl)(F)F)OC(=O)C(F)(F)F

DOS

IR

Vibrations