Geometry & MOs

Info

ID:	408433
PubChem CID:	135081199
Reduced:	O2S6N8H66C75 (1)
Stoich.:	A2B6C8D66E75 (1)
Weight, g/mol:	192.9642
ΔH_f, kcal/mol:	324.78
Dipole, Da:	15.64
IP(EA), eV:	-7.99(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CCCCCCC1=CC=C(S1)C2=CC=C(S2)C3=CC4=C(C=C3)C5=NC6=NC(=NC7=C8C=C(C=CC8=C(N7)N=C9C1=C(C=CC(=C1)C1=CC=C(S1)C1=CC=C(S1)CCCCCC)C(=N9)N=C4N5)C(=O)O)C1=C6C=C(C=C1)C1=CC=C(S1)C1=CC=C(S1)CCCCCC

DOS

IR

Vibrations