Geometry & MOs

Info

ID:

426059

PubChem CID:

135135699

Reduced:

Br2N13O20C75H121 (1)

Stoich.:

A2B13C20D75E121 (1)

Weight, g/mol:

167.051718

ΔHf, kcal/mol:

-960.37

Dipole, Da:

11.88

IP(EA), eV:

 -8.98(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-2,3-dihydro-1,2,3-benzothiadiazol-7-amine

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)COCCOCCOCCOCCNC(=O)CC[C@H](CNC(=O)Br)NC(=O)Br

DOS

IR

Vibrations