Geometry & MOs

Info

ID:	433647
PubChem CID:	135173787
Reduced:	OCl2N7H27C34 (1)
Stoich.:	AB2C7D27E34 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	127.23
Dipole, Da:	4.79
IP(EA), eV:	-8.45(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-(3-amino-2-methoxyphenyl)-2-methylphenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CN=C3C(=C2)C=CN=C3NC4=CC=CC(=C4Cl)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)C=O)Cl

DOS

IR

Vibrations