Geometry & MOs

Info

ID:	163111
PubChem CID:	57641560
Reduced:	O20C61H74 (1)
Stoich.:	A20B61C74 (1)
Weight, g/mol:	463.286633
ΔH_f, kcal/mol:	-721.17
Dipole, Da:	10.55
IP(EA), eV:	-8.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-azido-2-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]benzoate

Drug info:

Smile

CC1=C(C(CC(C1=O)OC(=O)CCC(=O)OCC(C2C(=C(C(=O)O2)O)O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C3=C(C(=O)C(CC3(C)C)OC(=O)CCC(=O)OCC(C4C(=C(C(=O)O4)OC)O)O)C)/C)/C

DOS

IR

Vibrations