Geometry & MOs

Info

ID:	175737
PubChem CID:	75942646
Reduced:	N5O5C24H33 (1)
Stoich.:	A5B5C24D33 (1)
Weight, g/mol:	463.194106
ΔH_f, kcal/mol:	-175.58
Dipole, Da:	4.7
IP(EA), eV:	-8.89(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[1-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)C1CCCN(C1)C(=O)C2=NN(C=C2OC)C3=CC=CC=C3

DOS

IR

Vibrations