Geometry & MOs

Info

ID:	185696
PubChem CID:	77334804
Reduced:	SO3N7C26H31 (1)
Stoich.:	AB3C7D26E31 (1)
Weight, g/mol:	309.177433
ΔH_f, kcal/mol:	-57.94
Dipole, Da:	3.87
IP(EA), eV:	-8.71(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(CCCC=C1NC2=NC=C(C(=N2)NC3=CC=C(C=C3)C4=CSC=N4)C(=O)N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations