Geometry & MOs

Info

ID:

297859

PubChem CID:

117634092

Reduced:

NOC7H7 (2)

Stoich.:

ABC7D7 (2)

Weight, g/mol:

745.255169

ΔHf, kcal/mol:

-6.06

Dipole, Da:

5.84

IP(EA), eV:

-8.51(-1.16)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

14-methyl-5-N,5-N,17-N,17-N-tetraphenyl-8-thia-14-azaoctacyclo[24.3.1.02,7.09,29.012,28.013,21.015,20.022,27]triaconta-1(30),2(7),3,5,9(29),10,12(28),13(21),15(20),16,18,22,24,26-tetradecaene-5,17-diamine

Drug info:

PubChemData

Smile

CC1=CC(=O)C=C(C1=NNC2=CC=C(C=C2)O)C

DOS

IR

Vibrations