Geometry & MOs

Info

ID:	32866
PubChem CID:	7849002
Reduced:	FSN2O5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-218.13
Dipole, Da:	3.87
IP(EA), eV:	-8.67(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-3-[(2R)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations