Geometry & MOs

Info

ID:

311347

PubChem CID:

126590627

Reduced:

S3N10O19C106H152 (1)

Stoich.:

A3B10C19D106E152 (1)

Weight, g/mol:

527.245392

ΔHf, kcal/mol:

-857.54

Dipole, Da:

10.8

IP(EA), eV:

 -8.34(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R)-3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-N-methylidene-N'-(2-methylprop-1-enyl)-2-prop-2-enoxybutanimidamide

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)C1CCCCCCC1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)OC(C)(C)C)NC(=O)[C@H](COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)[C@H](C(C)OC(C)(C)C)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC7=CC=C(C=C7)OC(C)(C)C)NC(=O)COCCOCCNC(=O)[C@H](CSSCC)NC(=O)OC(C)C

DOS

IR

Vibrations