Geometry & MOs

Info

ID:	330469
PubChem CID:	127247876
Reduced:	SN4O5C13H20 (1)
Stoich.:	AB4C5D13E20 (1)
Weight, g/mol:	345.081698
ΔH_f, kcal/mol:	-156.5
Dipole, Da:	4.88
IP(EA), eV:	-9.46(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-4-(4-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=NO1)C(=O)N2CCN(CC(C2)C(=O)N)S(=O)(=O)C

DOS

IR

Vibrations