Geometry & MOs

Info

ID:	419142
PubChem CID:	135107598
Reduced:	ClSN2O5C15H21 (1)
Stoich.:	ABC2D5E15F21 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-193.81
Dipole, Da:	5.22
IP(EA), eV:	-9.5(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(4-oxoquinazolin-3-yl)butanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=C(C=C(C=C2)Cl)OC

DOS

IR

Vibrations