Geometry & MOs

Info

ID:

168441

PubChem CID:

74968187

Reduced:

S2O5N7C19H27 (1)

Stoich.:

A2B5C7D19E27 (1)

Weight, g/mol:

597.349949

ΔHf, kcal/mol:

-118.21

Dipole, Da:

6.91

IP(EA), eV:

 -8.83(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-N-[1-[[1-[(1-amino-1-oxo-4-phenylbutan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CSC4=NN=NN4CCC(=O)N)C(=O)O)C(C)O

DOS

IR

Vibrations