Geometry & MOs

Info

ID:	377911
PubChem CID:	134223977
Reduced:	OSN4H10C11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	15.46
Dipole, Da:	1.24
IP(EA), eV:	-8.58(-1.24)
Spin(S_z, 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)-[(4-methoxyphenyl)methylamino]methanol

Drug info:

PubChemData

Smile

CC1=CC2=NC=CN2C3=C1C(=C(S3)C(=O)N)N

DOS

IR

Vibrations