Geometry & MOs

Info

ID:	47482
PubChem CID:	10533245
Reduced:	S2N3O6C44H47 (1)
Stoich.:	A2B3C6D44E47 (1)
Weight, g/mol:	780.277931
ΔH_f, kcal/mol:	-135.46
Dipole, Da:	5.23
IP(EA), eV:	-8.51(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC5=C4C=CC=C5C(=O)N[C@@H](CCSC)C(=O)OC

DOS

IR

Vibrations