Geometry & MOs

Info

ID:	41832
PubChem CID:	8147208
Reduced:	F2O8H16C19 (1)
Stoich.:	A2B8C16D19 (1)
Weight, g/mol:	390.164009
ΔH_f, kcal/mol:	-376.56
Dipole, Da:	1.53
IP(EA), eV:	-9.79(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-oxo-1H-quinazolin-2-yl)methyl-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)OC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)OC(F)F

DOS

IR

Vibrations