Geometry & MOs

Info

ID:	438569
PubChem CID:	135228313
Reduced:	SN2O15C47H76 (1)
Stoich.:	AB2C15D47E76 (1)
Weight, g/mol:	351.147058
ΔH_f, kcal/mol:	-629.46
Dipole, Da:	4.22
IP(EA), eV:	-7.14(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(anthracen-9-ylmethoxycarbonyl)carbamate

Drug info:

PubChemData

Smile

CC(COC(C)COCCOC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC)N1C(=O)C2=C3C(=C(C=C2)NCSCC(=O)OCCO)C=CC=C3C1=O

DOS

IR

Vibrations