Geometry & MOs

Info

ID:

144260

PubChem CID:

53339496

Reduced:

SN4O6C23H32 (1)

Stoich.:

AB4C6D23E32 (1)

Weight, g/mol:

916.317207

ΔHf, kcal/mol:

-223.68

Dipole, Da:

5.09

IP(EA), eV:

 -9.34(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N,6-N-bis[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=O)C=CN2)O)CC(=O)N(C)C

DOS

IR

Vibrations