Geometry & MOs

Info

ID:	192354
PubChem CID:	78259861
Reduced:	S2N4O4C15H16 (1)
Stoich.:	A2B4C4D15E16 (1)
Weight, g/mol:	468.092597
ΔH_f, kcal/mol:	-108.16
Dipole, Da:	9.12
IP(EA), eV:	-8.72(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-oxo-4aH-quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

C1CC(=O)NCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3

DOS

IR

Vibrations