Geometry & MOs

Info

ID:	330462
PubChem CID:	127247869
Reduced:	SO3N4C14H22 (1)
Stoich.:	AB3C4D14E22 (1)
Weight, g/mol:	330.099791
ΔH_f, kcal/mol:	-100.76
Dipole, Da:	3.57
IP(EA), eV:	-9.24(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-1,2-oxazole-3-carbonyl)-4-methylsulfonyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CN2CCN(CC(C2)C(=O)N)S(=O)(=O)C

DOS

IR

Vibrations