Geometry & MOs

Info

ID:	126066
PubChem CID:	50950220
Reduced:	NOH15C18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	359.105211
ΔH_f, kcal/mol:	24.91
Dipole, Da:	5.0
IP(EA), eV:	-8.97(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)CC1=CC=C(C=C1)C2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations