Geometry & MOs

Info

ID:	443549
PubChem CID:	135259302
Reduced:	SO3N7C23H27 (1)
Stoich.:	AB3C7D23E27 (1)
Weight, g/mol:	283.214744
ΔH_f, kcal/mol:	-56.21
Dipole, Da:	3.78
IP(EA), eV:	-8.77(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(1-butan-2-ylcyclohexyl)-N-formylcarbamate

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C=C(SC5=NC=N4)C(=O)NCCN(C)C)CCCC3

DOS

IR

Vibrations