Geometry & MOs

Info

ID:	193073
PubChem CID:	78338148
Reduced:	O3N5C28H33 (1)
Stoich.:	A3B5C28D33 (1)
Weight, g/mol:	425.115775
ΔH_f, kcal/mol:	-65.2
Dipole, Da:	2.01
IP(EA), eV:	-8.65(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-2-[[methyl-[(4-oxo-4aH-quinazolin-2-yl)methyl]amino]methyl]-4-oxo-4aH-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1C(=O)CN3C(=O)C4C(N=CN4CCC(C)C)N(C3=O)CC5=CC=CC=C5

DOS

IR

Vibrations