Geometry & MOs

Info

ID:	165231
PubChem CID:	74519784
Reduced:	N3O5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-112.12
Dipole, Da:	6.77
IP(EA), eV:	-8.58(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)OC)OC(C)C(=O)N(C)C

DOS

IR

Vibrations