Geometry & MOs

Info

ID:	330473
PubChem CID:	127247880
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	319.156577
ΔH_f, kcal/mol:	-61.5
Dipole, Da:	3.59
IP(EA), eV:	-8.82(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1N2CCN(CC(C2)C(=O)N)CC3=CC=CC=C3

DOS

IR

Vibrations