Geometry & MOs

Info

ID:	218248
PubChem CID:	85089086
Reduced:	O5H26C28 (1)
Stoich.:	A5B26C28 (1)
Weight, g/mol:	442.189257
ΔH_f, kcal/mol:	-102.52
Dipole, Da:	5.45
IP(EA), eV:	-8.87(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-(1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=CCOC1=C(C=CC2=C1OC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=O)OC)C

DOS

IR

Vibrations