Geometry & MOs

Info

ID:	162331
PubChem CID:	57394330
Reduced:	O3N4C25H38 (1)
Stoich.:	A3B4C25D38 (1)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	-154.65
Dipole, Da:	1.74
IP(EA), eV:	-9.28(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzenesulfonyl)-9,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]2CCCN(C2)C(=O)CC3=CC=CC=C3)NC

DOS

IR

Vibrations