Geometry & MOs

Info

ID:	83701
PubChem CID:	49860262
Reduced:	ClSO2N5C23H34 (1)
Stoich.:	ABC2D5E23F34 (1)
Weight, g/mol:	360.08116
ΔH_f, kcal/mol:	42.3
Dipole, Da:	7.63
IP(EA), eV:	-7.65(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(10-amino-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethyl]acetamide;hydrochloride

Drug info:

PubChemData

Smile

CCN(CC)CCNC1=C2C3=C(C=C1)N(N=C3C4=CC=CC=C4S2)CCNCCO.O.Cl

DOS

IR

Vibrations