Geometry & MOs

Info

ID:	32862
PubChem CID:	7848982
Reduced:	SN2O6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-243.18
Dipole, Da:	1.79
IP(EA), eV:	-8.99(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-3-[(2R)-2-hydroxypropyl]-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)OC(C)C)O

DOS

IR

Vibrations