Geometry & MOs

Info

ID:	330552
PubChem CID:	127247959
Reduced:	SO4N5C13H21 (1)
Stoich.:	AB4C5D13E21 (1)
Weight, g/mol:	344.115441
ΔH_f, kcal/mol:	-139.39
Dipole, Da:	6.02
IP(EA), eV:	-9.24(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)S(=O)(=O)C)C(=O)C2=NC=CN2C

DOS

IR

Vibrations