Geometry & MOs

Info

ID:	437072
PubChem CID:	135214457
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	569.145693
ΔH_f, kcal/mol:	-82.43
Dipole, Da:	3.95
IP(EA), eV:	-8.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-3-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-3,4-dihydrothieno[2,3-e][1,4]diazepin-2-one

Drug info:

PubChemData

Smile

CCOC1=C(C(=O)C1=O)NC[C@H](CC2=CC=C(C=C2)O)N(C)C

DOS

IR

Vibrations