Geometry & MOs

Info

ID:

393220

PubChem CID:

135019767

Reduced:

N4O9C36H54 (1)

Stoich.:

A4B9C36D54 (1)

Weight, g/mol:

693.242826

ΔHf, kcal/mol:

-391.18

Dipole, Da:

6.12

IP(EA), eV:

 -8.02(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-(benzenesulfonamido)-3-[[4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]-3-nitrobenzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)N2C=C(N=N2)CCCCCCNC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations