Geometry & MOs

Info

ID:	224112
PubChem CID:	85338347
Reduced:	SCl2O5N6C28H30 (1)
Stoich.:	AB2C5D6E28F30 (1)
Weight, g/mol:	634.136792
ΔH_f, kcal/mol:	-134.2
Dipole, Da:	2.75
IP(EA), eV:	-8.88(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=C(C=C1)NC(=O)C2=C(C=NC=C2Cl)Cl)N=C(N)NC3=CC=CC=C3S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations