Geometry & MOs

Info

ID:	184419
PubChem CID:	77159302
Reduced:	NO13C32H37 (1)
Stoich.:	AB13C32D37 (1)
Weight, g/mol:	314.184172
ΔH_f, kcal/mol:	-530.85
Dipole, Da:	7.19
IP(EA), eV:	-9.02(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[5-(dimethylcarbamoyl)-2-hydroxycyclohexanecarbonyl]carbamic acid

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations