Geometry & MOs

Info

ID:	433185
PubChem CID:	135173322
Reduced:	NS2O5C10H21 (1)
Stoich.:	AB2C5D10E21 (1)
Weight, g/mol:	429.158309
ΔH_f, kcal/mol:	-240.1
Dipole, Da:	2.28
IP(EA), eV:	-9.57(0.11)
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]piperazine-1-sulfonamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)(C)COS(=O)(=O)C

DOS

IR

Vibrations