Geometry & MOs

Info

ID:	437070
PubChem CID:	135214447
Reduced:	SN4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	553.150779
ΔH_f, kcal/mol:	83.65
Dipole, Da:	2.67
IP(EA), eV:	-9.68(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine

Drug info:

PubChemData

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CC(C)C1=CN(C=N1)C(=S)N2C=CN=C2

DOS

IR

Vibrations