Geometry & MOs

Info

ID:	33465
PubChem CID:	7886627
Reduced:	N2S2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	397.128255
ΔH_f, kcal/mol:	70.36
Dipole, Da:	3.3
IP(EA), eV:	-8.59(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-methylphenyl)propyl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)SC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations