Geometry & MOs

Info

ID:	415481
PubChem CID:	135088476
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	344.130697
ΔH_f, kcal/mol:	-29.61
Dipole, Da:	3.88
IP(EA), eV:	-9.11(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethylthiophen-2-yl)-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCC2(CC1)C3=C(CCO2)C=CS3)N4C=CC=N4

DOS

IR

Vibrations