Geometry & MOs

Info

ID:	61096
PubChem CID:	26705654
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	420.136845
ΔH_f, kcal/mol:	-97.48
Dipole, Da:	5.17
IP(EA), eV:	-8.7(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-6-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=CS1)C(=O)CC2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations