Geometry & MOs

Info

ID:	418324
PubChem CID:	135104192
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-193.15
Dipole, Da:	6.89
IP(EA), eV:	-9.38(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4)O

DOS

IR

Vibrations