Geometry & MOs

Info

ID:	348877
PubChem CID:	127274525
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	226.077599
ΔH_f, kcal/mol:	-33.08
Dipole, Da:	2.46
IP(EA), eV:	-8.61(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-(1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CC3=C(S2)N(N=C3C)C

DOS

IR

Vibrations