Geometry & MOs

Info

ID:	187006
PubChem CID:	77517379
Reduced:	Cl2N2O3H8C13 (1)
Stoich.:	A2B2C3D8E13 (1)
Weight, g/mol:	516.251875
ΔH_f, kcal/mol:	20.23
Dipole, Da:	5.94
IP(EA), eV:	-9.5(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclohexyl-2-[2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]-8-methyl-2,3-dihydro-1H-imidazo[1,5-a][1,3,5]triazin-4-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=NC(=O)C3=CC(=C(N3C2C=C1)Cl)Cl

DOS

IR

Vibrations