Geometry & MOs

Info

ID:	62338
PubChem CID:	26719333
Reduced:	N5O5C25H27 (1)
Stoich.:	A5B5C25D27 (1)
Weight, g/mol:	443.133734
ΔH_f, kcal/mol:	-124.98
Dipole, Da:	4.76
IP(EA), eV:	-8.34(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

DOS

IR

Vibrations