Geometry & MOs

Info

ID:	196708
PubChem CID:	78867355
Reduced:	ClO2N4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	343.156577
ΔH_f, kcal/mol:	-13.46
Dipole, Da:	7.1
IP(EA), eV:	-9.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-5-(4-methyl-1,4-diazepane-1-carbonyl)furan-2-sulfonamide

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)CCCC2=NC(=NO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations