Geometry & MOs

Info

ID:	330553
PubChem CID:	127247960
Reduced:	SN4O5C13H20 (1)
Stoich.:	AB4C5D13E20 (1)
Weight, g/mol:	345.118084
ΔH_f, kcal/mol:	-148.16
Dipole, Da:	7.41
IP(EA), eV:	-9.42(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-methylsulfonyl-4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCN(CC(C2)C(=O)NC)S(=O)(=O)C

DOS

IR

Vibrations