Geometry & MOs

Info

ID:	126556
PubChem CID:	50967765
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	371.105211
ΔH_f, kcal/mol:	-71.58
Dipole, Da:	7.81
IP(EA), eV:	-8.17(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-amino-1,3-benzothiazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate

Drug info:

PubChemData

Smile

CCN(CC1CCCO1)C(=O)C2=CC=C(C=C2)N3CCN(CC3)C

DOS

IR

Vibrations