Geometry & MOs

Info

ID:	397870
PubChem CID:	135030863
Reduced:	N2O3H24C27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	386.120132
ΔH_f, kcal/mol:	-36.54
Dipole, Da:	5.83
IP(EA), eV:	-8.38(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-amino-17-methylsulfanyl-9,13,16-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC=C2[C@@]34C5=CC=CC=C5C(=O)N3CCC6=CC(=C(C=C46)OC)OC

DOS

IR

Vibrations