Geometry & MOs

Info

ID:	214671
PubChem CID:	85083377
Reduced:	BrN5O9C21H26 (1)
Stoich.:	AB5C9D21E26 (1)
Weight, g/mol:	572.11438
ΔH_f, kcal/mol:	-340.02
Dipole, Da:	5.12
IP(EA), eV:	-9.1(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,9-dibromo-16-[tert-butyl(dimethyl)silyl]oxy-17-methylhexacyclo[10.7.0.01,3.03,8.08,10.013,17]nonadecan-6-one

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC(C1Br)N2C3=NC(=NC(=O)C3N(C2=O)CC=C)N)COC4(OC(=O)C(O4)(C)C)C

DOS

IR

Vibrations