Geometry & MOs

Info

ID:	349298
PubChem CID:	127275085
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-54.85
Dipole, Da:	3.12
IP(EA), eV:	-8.88(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,4-oxazepan-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NC2=NC(=C(S2)CC3=CC=C(C=C3)C)C

DOS

IR

Vibrations