Geometry & MOs

Info

ID:	32867
PubChem CID:	7849003
Reduced:	SN3O5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	365.104542
ΔH_f, kcal/mol:	-208.84
Dipole, Da:	7.28
IP(EA), eV:	-9.06(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2S)-2-hydroxypropyl]-2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC(C)(C)C)O

DOS

IR

Vibrations