Geometry & MOs

Info

ID:	329491
PubChem CID:	126737499
Reduced:	O4N5C29H31 (1)
Stoich.:	A4B5C29D31 (1)
Weight, g/mol:	446.25292
ΔH_f, kcal/mol:	-99.88
Dipole, Da:	8.5
IP(EA), eV:	-8.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[4-[cyclohexyl(methyl)carbamoyl]-2-nitroanilino]cyclobutyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C1C=C(C=C2)N3C4=C(C=C(C=C4)CNC(=O)OCC5=CC=CC=C5)N=C3N

DOS

IR

Vibrations