Geometry & MOs

Info

ID:	221339
PubChem CID:	85267781
Reduced:	NSO2C18H32 (1)
Stoich.:	ABC2D18E32 (1)
Weight, g/mol:	406.121195
ΔH_f, kcal/mol:	-132.47
Dipole, Da:	3.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753965
Charge, e:	0

Chem-info

IUPAC name:

N-[10-(6-aminopurin-9-yl)-9,10-dihydrophenanthren-9-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2[S+](C)CC(=O)N3CCCCC3)O)C)C

DOS

IR

Vibrations