Geometry & MOs

Info

ID:

436307

PubChem CID:

135198605

Reduced:

BrO5N6C23H29 (1)

Stoich.:

AB5C6D23E29 (1)

Weight, g/mol:

534.19877

ΔHf, kcal/mol:

-146.21

Dipole, Da:

5.51

IP(EA), eV:

 -8.58(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N'-[2-[[6-bromo-3-[2-[ethyl-[2-methyl-3-(propan-2-ylamino)propyl]sulfinylamino]ethylamino]cyclohexa-2,4-dien-1-yl]amino]-2-oxoethyl]carbamimidate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)CN2CCN(CC2=O)C3=CC(=C(C=C3)Br)NC(=O)C4=COC(=N4)N

DOS

IR

Vibrations