Geometry & MOs

Info

ID:	433228
PubChem CID:	135173365
Reduced:	SO2N3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	-4.87
Dipole, Da:	3.12
IP(EA), eV:	-8.33(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

CNC1=CC(=CC=C1)NSC2=C(C=CC(=C2)C3=CC(=CC=C3)C(=O)N(C)C)OC

DOS

IR

Vibrations