Geometry & MOs

Info

ID:	330556
PubChem CID:	127247963
Reduced:	S2O3N4C13H22 (1)
Stoich.:	A2B3C4D13E22 (1)
Weight, g/mol:	347.187878
ΔH_f, kcal/mol:	-92.36
Dipole, Da:	5.86
IP(EA), eV:	-9.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycyclohexyl)methyl]-N-methyl-4-methylsulfonyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN2CCN(CC(C2)C(=O)NC)S(=O)(=O)C

DOS

IR

Vibrations