Geometry & MOs

Info

ID:	134678
PubChem CID:	51738071
Reduced:	N3O3C20H33 (1)
Stoich.:	A3B3C20D33 (1)
Weight, g/mol:	431.278407
ΔH_f, kcal/mol:	-170.12
Dipole, Da:	2.61
IP(EA), eV:	-9.45(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(butylamino)-1-oxoheptan-2-yl]-N-cyclohexyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

C/C=C\[C@H](C(=O)NC(C)(C)C)N(C1CCCCC1)C(=O)[C@@H]2CCC(=O)N2

DOS

IR

Vibrations