Geometry & MOs

Info

ID:	170703
PubChem CID:	75269717
Reduced:	N4O5C23H24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	388.102768
ΔH_f, kcal/mol:	-126.07
Dipole, Da:	14.3
IP(EA), eV:	-9.22(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1C(NN2C1=NC(=O)CC2C(=O)NC3=C(C=CC(=C3)C(=O)O)OC)C4=CC=C(C=C4)C

DOS

IR

Vibrations