Geometry & MOs

Info

ID:	348751
PubChem CID:	127273862
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	373.157246
ΔH_f, kcal/mol:	-92.45
Dipole, Da:	4.25
IP(EA), eV:	-9.38(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)CNC(=O)CC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations