Geometry & MOs

Info

ID:

388961

PubChem CID:

134990762

Reduced:

S2N12O12C47H62 (1)

Stoich.:

A2B12C12D47E62 (1)

Weight, g/mol:

607.108307

ΔHf, kcal/mol:

-479.85

Dipole, Da:

5.19

IP(EA), eV:

 -9.18(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@H](C(=O)NCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSCC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)OCC4=CC=CC=C4)N

DOS

IR

Vibrations