Geometry & MOs

Info

ID:	194865
PubChem CID:	78599192
Reduced:	ClN3O5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	378.070595
ΔH_f, kcal/mol:	-124.2
Dipole, Da:	3.84
IP(EA), eV:	-8.77(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methylideneamino]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC(=O)COC1=C(C=C(C=C1)C=NNC(=O)COC2=CC=C(C=C2)Cl)OC

DOS

IR

Vibrations