Geometry & MOs

Info

ID:

377705

PubChem CID:

134223769

Reduced:

OSN7C23H29 (1)

Stoich.:

ABC7D23E29 (1)

Weight, g/mol:

379.146681

ΔHf, kcal/mol:

48.71

Dipole, Da:

7.35

IP(EA), eV:

 -8.25(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-amino-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-4-yl)-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methanol

Drug info:

PubChemData

Smile

CC1=CC2=NC(=NN2C3=C1C(=C(S3)C(NCC4=CC=C(C=C4)N5CCN(CC5)C)O)N)C

DOS

IR

Vibrations