Geometry & MOs

Info

ID:	378651
PubChem CID:	134224745
Reduced:	NH21C25 (1)
Stoich.:	AB21C25 (1)
Weight, g/mol:	373.092521
ΔH_f, kcal/mol:	85.81
Dipole, Da:	2.2
IP(EA), eV:	-8.17(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

28-thia-14-azaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene

Drug info:

PubChemData

Smile

CC1(C2C=CC=CC2C3=C1C=C4C(=C3)C5=C(N4)C=CC6=CC=CC=C65)C

DOS

IR

Vibrations