Geometry & MOs

Info

ID:	330463
PubChem CID:	127247870
Reduced:	SN4O5C12H18 (1)
Stoich.:	AB4C5D12E18 (1)
Weight, g/mol:	331.066048
ΔH_f, kcal/mol:	-148.29
Dipole, Da:	7.07
IP(EA), eV:	-9.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-4-(thiophene-3-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations