Geometry & MOs

Info

ID:	38688
PubChem CID:	8137570
Reduced:	SO2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	389.100954
ΔH_f, kcal/mol:	0.64
Dipole, Da:	7.27
IP(EA), eV:	-8.94(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NCC(=O)NC2CC2)C3=CC=CC=C3

DOS

IR

Vibrations