Geometry & MOs

Info

ID:	216664
PubChem CID:	85086578
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	288.980211
ΔH_f, kcal/mol:	-49.7
Dipole, Da:	2.04
IP(EA), eV:	-8.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-amino-5,10-dithia-12,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(16),3,6,8,11,14-hexaene-13-thione

Drug info:

PubChemData

Smile

CC1=C2C(=O)C(C=C(C2=NC=C1)NC(C)CCCN)OC

DOS

IR

Vibrations