Geometry & MOs

Info

ID:	349222
PubChem CID:	127274948
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	345.135842
ΔH_f, kcal/mol:	-49.37
Dipole, Da:	5.71
IP(EA), eV:	-9.23(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[(2S)-1-(2-methyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-1,2-oxazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CN(N=C2)C

DOS

IR

Vibrations