Geometry & MOs

Info

ID:	422282
PubChem CID:	135117553
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	3.22
IP(EA), eV:	-9.45(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methyl-1,3-benzothiazole-5-carbonyl)-1,4-diazepan-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone

Drug info:

PubChemData

Smile

C1CC1CC(=O)N(CCO)CC2=NC=CN2

DOS

IR

Vibrations